SCHEMBL4355462

SCHEMBL4355462

CN1CCN(C(=O)c2ccc(-c3ccc4c(c3)COC(C3CCN(C(=O)c5ccccc5)CC3)O4)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TNKS O95271 3/20 0.42
HTR2B P41595 1/20 0.41
PIK3CA P42336 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC8A1 P32418 2/20 0.39
MKNK1 Q9BUB5 2/20 0.39
MKNK2 Q9HBH9 2/20 0.39
CYP2C9 P11712 1/20 0.39
EIF4E P06730 1/20 0.39
BMPR1B O00238 1/20 0.38
BMPR1A P36894 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
WNT1 P04628 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL4538191 0.92 TNKS (0.41) TNKSHTR2BPIK3CANPC1RAB9A
SCHEMBL4355595 0.89 POLB (0.54) POLBTNKSHTR2BSMN1; SMN2CYP2C9
SCHEMBL4362448 0.88 TNKS (0.44) TNKSHTR2BPIK3CANPC1RAB9A
SCHEMBL4348683 0.87 TNKS (0.41) TNKSHTR2BPIK3CANPC1RAB9A
SCHEMBL4355330 0.87 GPR119 (0.39) TNKSHTR2BPIK3CASLC8A1GSK3B
SCHEMBL4355344 0.86 GPR119 (0.43) TNKSPTPN2PTPN1
SCHEMBL4351738 0.86 TNKS (0.38) TNKSHTR2BPIK3CANPC1RAB9A
SCHEMBL4357683 0.84 POLB (0.48) POLBTNKSSMN1; SMN2CYP2C9BMPR1B
SCHEMBL4540460 0.83 SMN1; SMN2 (0.43) HTR2BPIK3CANPC1RAB9ASMN1; SMN2
SCHEMBL4520212 0.82 PTPN2 (0.47) POLBHTR2BPIK3CASMN1; SMN2ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2016-09-08 US disclosed
US-9259426-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2016-02-16 US disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
US-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2009-11-19 US 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 (3 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-20090285782-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR5A2, NR4A1 POLB 2478/4885TNKS 3296/4885HTR2B 1151/4885
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections NR3C1, NR3C2, NR5A2 POLB 2282/4885TNKS 3692/4885HTR2B 1093/4885
US-20160257673-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS NR3C1, NR3C2, NR5A2 POLB 2282/4885TNKS 3692/4885HTR2B 1093/4885

“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.