SCHEMBL4550899

SCHEMBL4550899

COC(=O)Nc1nc2c(s1)C(O)=C(C(=O)c1ccc(C)nc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
MAPT P10636 3/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
ALOX5 P09917 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 4/20 0.35
PKM P14618 1/20 0.35
HDAC1 Q13547 1/20 0.34

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
SCHEMBL1117942 0.92 HTT (0.44) MAPTSMN1; SMN2LMNANPSR1HTT
SCHEMBL1781491 0.90 PIK3CG (0.42) MAPTSMN1; SMN2LMNAALDH1A1HDAC1
SCHEMBL1118068 0.89 CSNK2A2 (0.38) TSHRMAPTCCNT1CDK1CDK4
SCHEMBL1117951 0.89 TSHR (0.40) TSHRMAPTCCNT1CDK1CDK4
SCHEMBL4550801 0.88 TSHR (0.39) TSHRMAPTCCNT1CDK1CDK4
SCHEMBL1781189 0.87 RAB9A (0.38) TSHRMAPTSMN1; SMN2LMNAHTT
SCHEMBL1117979 0.84 PIK3CD (0.40) SMN1; SMN2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL1117996 0.83 GRM4 (0.37) HDAC1
SCHEMBL1118007 0.83 RAB9A (0.44) MAPTSMN1; SMN2LMNAHTTALDH1A1
SCHEMBL1782298 0.81 PIK3CG (0.50) MAPTCCNT1CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 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 (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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R TSHR 378/4885MAPT 2509/4885CCNT1 8/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R TSHR 378/4885MAPT 2509/4885CCNT1 8/4885

“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.