SCHEMBL5521606

SCHEMBL5521606

Cc1nc2c(Cl)cc(C(O)CCl)cc2o1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL5521602 1.00 LMNA (0.31) LMNAADRB2ADRB1HTR1ASLC6A2
Hydrochloric Acid SCHEMBL5074295 0.87 KDM4E (0.35) LMNAADRB2ADRB1HTR1ASLC6A2
SCHEMBL14510191 0.85 ADRB1 (0.37) LMNAADRB2ADRB1HTR1ASLC6A2
SCHEMBL20675593 0.80 ELANE (0.30)
Hydrochloric Acid SCHEMBL5074297 0.77
SCHEMBL19914256 0.72 HTT (0.43)
SCHEMBL5074818 0.71 ALDH1A1 (0.38) LMNAKDM4ECYP3A4
SCHEMBL14758281 0.69 PLK4 (0.36) KDM4E
SCHEMBL5074233 0.65 KMO (0.39) LMNATSHRKDM4E
SCHEMBL5512753 0.65 KMO (0.39) LMNATSHRKDM4E

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
US-7223757-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-29 US disclosed
US-7081454-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2006-07-25 US disclosed
US-20060079518-A1 Novel tyrosine kinase inhibitors WITTMAN MARK D 2006-04-13 US disclosed
EP-1545543-A2 NOVEL TYROSINE KINASES INHIBITORS Bristol-Myers Squibb Company (US) 2005-06-29 EP disclosed
CN-1514833-A Novel tyrosine kinase inhibitors ����˹�ж�-����˹˹������˾ 2004-07-21 CN disclosed
WO-2004031401-A2 NOVEL TYROSINE KINASES INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-15 WO disclosed
US-20040044203-A1 Novel tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-03-04 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 (2 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-20040044203-A1 Novel tyrosine kinase inhibitors ABL1, YES1, FER LMNA 4571/4885ADRB2 4474/4885ADRB1 3837/4885
US-20060079518-A1 Novel tyrosine kinase inhibitors ABL1, FER, ERBB2 LMNA 4678/4885ADRB2 4562/4885ADRB1 4167/4885

“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.