SCHEMBL3847376

SCHEMBL3847376

CN1CCN(C(=O)c2ccc(N/C(=C3\C(=O)Nc4cc(C(=O)O)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
CYP2C9 P11712 1/20 0.45
EPHX2 P34913 4/20 0.45
NAMPT P43490 3/20 0.45
POLB P06746 2/20 0.45
FLT3 P36888 1/20 0.44
GRM5 P41594 1/20 0.42
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PIM1 P11309 1/20 0.40
PIM2 Q9P1W9 1/20 0.40

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
SCHEMBL3847010 0.92 ALDH1A1 (0.46) CDK5CDK5R1CYP2C9EPHX2NAMPT
SCHEMBL4491359 0.91 POLB (0.45) CDK5CDK5R1CYP2C9EPHX2NAMPT
SCHEMBL4491364 0.91 POLB (0.45) CDK5CDK5R1CYP2C9EPHX2NAMPT
SCHEMBL4501781 0.91 EPHX2 (0.53) CDK5CDK5R1CYP2C9EPHX2NAMPT
SCHEMBL4501778 0.91 EPHX2 (0.53) CDK5CDK5R1CYP2C9EPHX2NAMPT
SCHEMBL4504619 0.91 PIM1 (0.47) CDK5CDK5R1CYP2C9EPHX2NAMPT
SCHEMBL4504622 0.91 PIM1 (0.47) CDK5CDK5R1CYP2C9EPHX2NAMPT
SCHEMBL5271176 0.90 HPGD (0.46) NAMPTFLT3GRM5HPGDNPC1
SCHEMBL3847391 0.89 CCNC (0.49) EPHX2NAMPTPOLBFLT3
SCHEMBL2569893 0.89 CDK5 (0.43) CDK5CDK5R1CYP2C9EPHX2NAMPT

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
EP-1830842-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 EP claimed
EP-1830842-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 EP disclosed
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 US disclosed
EP-1830842-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-12 EP disclosed
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-13 US disclosed
WO-2006067168-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 WO disclosed
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 US disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 CDK5 19/4885CDK5R1 32/4885CYP2C9 423/4885
US-20060154939-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 CDK5 990/4885CDK5R1 701/4885CYP2C9 2022/4885
US-20090048267-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 CDK5 1011/4885CDK5R1 558/4885CYP2C9 2084/4885

“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.