SCHEMBL4334408

SCHEMBL4334408

COc1ccccc1-c1cnn2ccc(NCc3cccnc3)nc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 5/20 1.00
PIM1 P11309 1/20 0.64
CYP1A2 P05177 8/20 0.61
CYP3A4 P08684 8/20 0.61
CYP2D6 P10635 8/20 0.61
CYP2C19 P33261 8/20 0.61
HSD17B10 Q99714 6/20 0.61
ALDH1A1 P00352 5/20 0.61
ALOX15 P16050 3/20 0.61
CLK4 Q9HAZ1 2/20 0.61
RET P07949 5/20 0.59
KDM4E B2RXH2 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 3/20 0.51
USP2 O75604 2/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30521762 1.00 FYN (1.00) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL4335916 0.90 FYN (0.81) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL4333521 0.90 FYN (0.81) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL4334625 0.88 FYN (0.79) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL4331835 0.88 FYN (0.79) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL4558710 0.86 FYN (0.75) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL4335366 0.85 FYN (1.00) FYNPIM1CYP1A2CYP3A4CYP2D6
SCHEMBL30521743 0.85 FYN (1.00) FYNPIM1ALDH1A1RETKDM4E
SCHEMBL4593822 0.85 FYN (1.00) FYNPIM1ALDH1A1RETKDM4E
SCHEMBL30521747 0.85 FYN (1.00) FYNPIM1CYP1A2CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2018-09-06 US claimed
EP-3347462-A1 METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS Lau, Warren C. (US) 2018-07-18 EP claimed
WO-2017044623-A1 METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS LAU WARREN C (US) 2017-03-16 WO claimed
EP-2049539-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. Bayer Schering Pharma Aktiengesellschaft (DE) 2009-04-22 EP claimed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US claimed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP claimed
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO claimed
US-20240041868-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2024-02-08 US disclosed
US-11701353-B2 Methods, compositions, and uses of novel FYN kinase inhibitors Pathways Neuro Pharma, Inc. (US) 2023-07-18 US disclosed
US-11701353-B2 Methods, compositions, and uses of novel FYN kinase inhibitors Pathways Neuro Pharma, Inc. (US) 2023-07-18 US disclosed
US-11701353-B2 Methods, compositions, and uses of novel FYN kinase inhibitors Pathways Neuro Pharma, Inc. (US) 2023-07-18 US disclosed
US-20210030753-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2021-02-04 US disclosed
US-20210030753-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2021-02-04 US disclosed
US-10688093-B2 Methods, compositions, and uses of novel Fyn kinase inhibitors Pathways Neuro Pharma, Inc. 2020-06-23 US disclosed
US-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors Pathways Neuro Pharma, Inc. 2018-09-06 US disclosed
EP-3347462-A1 METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS Lau, Warren C. (US) 2018-07-18 EP disclosed
WO-2017044623-A1 METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS LAU WARREN C (US) 2017-03-16 WO disclosed
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-02-14 US disclosed
EP-1873157-A1 Pyrazolopyrimidines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same Bayer Schering Pharma Aktiengesellschaft (DE) 2008-01-02 EP disclosed
WO-2007147647-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME. BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-12-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240041868-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors FYN, LCK, PTK2B FYN 1/4885PIM1 575/4885CYP1A2 3936/4885
US-20080039455-A1 PYRAZOLOPYRIMIDINES AND SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS COMPRISING SAME, METHODS OF PREPARING SAME AND USES OF SAME DPYD, FLT1, PDXK FYN 151/4885PIM1 400/4885CYP1A2 152/4885
US-20180250297-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors FYN, LCK, PTK2B FYN 1/4885PIM1 575/4885CYP1A2 3936/4885
US-11701353-B2 Methods, compositions, and uses of novel FYN kinase inhibitors FYN, LCK, PTK2B FYN 1/4885PIM1 575/4885CYP1A2 3936/4885
US-10688093-B2 Methods, compositions, and uses of novel Fyn kinase inhibitors FYN, LCK, PTK2B FYN 1/4885PIM1 575/4885CYP1A2 3936/4885
US-20210030753-A1 Methods, Compositions, and Uses of Novel FYN Kinase Inhibitors FYN, LCK, PTK2B FYN 1/4885PIM1 575/4885CYP1A2 3936/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.