SCHEMBL4479558

SCHEMBL4479558

Nc1cnc(N2CCN(C(=O)c3ccccc3F)CC2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.61
TP53 P04637 6/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 1/20 0.60
KDM4E B2RXH2 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 4/20 0.55
HTT P42858 1/20 0.55
CYP1A2 P05177 1/20 0.55
TSHR P16473 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.49

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
SCHEMBL4473676 0.88 ALDH1A1 (0.56) LMNATP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4468168 0.82 ALDH1A1 (0.63) LMNATP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4482163 0.78 TP53 (0.49) LMNATP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL27748975 0.77 TP53 (0.46) LMNATP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4475051 0.77 CKS1B (0.49) LMNATP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL4471844 0.77 MEN1 (0.46) ALDH1A1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL11715149 0.76 TSHR (0.80) LMNATP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL22305400 0.76 TSHR (0.80) LMNATP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL21449476 0.73 HPGD (0.58) LMNATP53ALDH1A1SMN1; SMN2MEN1
SCHEMBL30734185 0.72 PDGFRB (0.57) LMNAALDH1A1SMN1; SMN2HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582638-B2 Pyrazole-isoquinoline urea derivatives as p38 kinase inhibitors ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
US-7582638-B2 Pyrazole-isoquinoline urea derivatives as p38 kinase inhibitors ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
US-7582638-B2 Pyrazole-isoquinoline urea derivatives as p38 kinase inhibitors ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
US-20080275056-A1 With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis ELI LILLY AND COMPANY 2008-11-06 US disclosed
US-20080275056-A1 With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis ELI LILLY AND COMPANY 2008-11-06 US disclosed
US-20080275056-A1 With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis ELI LILLY AND COMPANY 2008-11-06 US disclosed
CN-101296924-A Pyrazole-isoquinoline urea derivatives as P38 kinase inhibitors LILLY CO ELI (US) 2008-10-29 CN disclosed
WO-2007053346-A1 PYRAZOLE-ISOQUINOLINE UREA DERIVATIVES AS P38 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-05-10 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 (1 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-20080275056-A1 With improved potency and greater bioavailability; 1-{1-[1-(1-Methyl-cyclopropanecarbonyl)-piperidin-4-yloxy]-isoquinolin-4-yl}-3-[5-(1-methyl-cyclopropyl)-2-p-tolyl-2H-pyrazol-3-yl]-urea; antimetastasis and antineoplastic agents, rheumatoid arthritis CNKSR1, CHUK, SLC14A1 LMNA 3226/4885TP53 704/4885ALDH1A1 1769/4885

“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.