SCHEMBL1785259

SCHEMBL1785259

COc1ccc(C(=O)n2ccnc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.53
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
GPR183 P32249 5/20 0.44
CYP11B1 P15538 1/20 0.43
NAMPT P43490 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTT P42858 2/20 0.40
OXTR P30559 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
CYP19A1 P11511 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.38

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
SCHEMBL1117958 0.81 CYP19A1 (0.51) HTTKDM4EALDH1A1CYP19A1
SCHEMBL7077757 0.79 CYP19A1 (0.38) HTTKMT2AMAPTALDH1A1CYP19A1
SCHEMBL11110140 0.79 CYP19A1 (0.55) KMT2AMAPTALDH1A1LMNACYP19A1
SCHEMBL1117963 0.78 NAPRT (0.50) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL9807751 0.78 CYP19A1 (0.46) HTTMAPTCYP19A1
SCHEMBL18280922 0.76 HTT (0.63) HTTKDM4EMEN1KMT2AMAPT
SCHEMBL1117980 0.74 CYP19A1 (0.47) CYP11B1NAMPTKCNH2CYP19A1
SCHEMBL11106769 0.73 MAOB (0.46) CYP11B1KMT2AALDH1A1LMNACYP19A1
SCHEMBL31665000 0.73 CNR2 (0.42) MEN1KMT2AMAPTCYP19A1
SCHEMBL4815855 0.73 KDM4E (0.53) CYP11B1KDM4EMAPTALDH1A1CYP19A1

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 3 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

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 NNMT 1096/4885MKNK1 1995/4885MKNK2 1944/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R NNMT 1096/4885MKNK1 1995/4885MKNK2 1944/4885

“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.