SCHEMBL1117951

SCHEMBL1117951

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
ALDH1A1 P00352 4/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 4/20 0.35
HTT P42858 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CDK4 P11802 1/20 0.34
CCNB1 P14635 1/20 0.34
CCND1 P24385 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33

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
SCHEMBL1783223 0.90 OGA (0.42) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL4550899 0.89 TSHR (0.40) TSHRALDH1A1PKMSMN1; SMN2MAPT
SCHEMBL4550801 0.87 TSHR (0.39) TSHRALDH1A1PKMSMN1; SMN2MAPT
SCHEMBL27839753 0.86 HTT (0.35) ALDH1A1PKMSMN1; SMN2MAPTLMNA
SCHEMBL1117949 0.85 OGA (0.33) ALDH1A1SMN1; SMN2MAPTLMNARAB9A
SCHEMBL1117942 0.81 HTT (0.44) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL1782298 0.80 PIK3CG (0.50) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL1117953 0.80
SCHEMBL1781217 0.80 PIK3CG (0.43) ALDH1A1PKMSMN1; SMN2MAPTCCNT1
SCHEMBL1118068 0.79 CSNK2A2 (0.38) TSHRALDH1A1SMN1; SMN2MAPTLMNA

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 5 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
EP-2280982-A1 THIAZOLYL-DIHYDRO-INDAZOLES Boehringer Ingelheim International GmbH (DE) 2011-02-09 EP 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 378/4885ALDH1A1 54/4885PKM 733/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R TSHR 378/4885ALDH1A1 54/4885PKM 733/4885

“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.