SCHEMBL1770538

SCHEMBL1770538

COc1ccc(CNc2ccc(C(=O)C3CCCc4nc(NC(C)=O)sc4C3=O)cn2)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.36
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 1/20 0.34
PDCD1 Q15116 5/20 0.34
CD274 Q9NZQ7 5/20 0.34
CYP3A4 P08684 2/20 0.34
OGA O60502 3/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HDAC1 Q13547 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
SCHEMBL12598920 0.86 TSHR (0.40) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL1770530 0.83 HCAR3 (0.41) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL1770199 0.81 ALDH1A1 (0.39) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL692071 0.78 TSHR (0.37) LMNAGAAMAPTCYP3A4ALDH1A1
SCHEMBL1770594 0.77 PIK3CG (0.40) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL1770533 0.77 HCAR3 (0.38) LMNAMAPTHPGDALDH1A1NPC1
SCHEMBL12598910 0.77 ALDH1A1 (0.39) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL1770505 0.76 ALDH1A1 (0.39) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL693037 0.76 HCAR3 (0.39) PIK3CGLMNAGAAMAPTHPGD
SCHEMBL1770509 0.76 HCAR3 (0.36) LMNAMAPTHPGDALDH1A1NPC1

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
EP-2421871-B1 THIA-TRIAZA-CYCLOPENTAZULENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-09-16 EP disclosed
US-8288379-B2 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-16 US disclosed
US-20110112087-A1 Thia-triaza-cyclopentazulenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 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 (1 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-20110112087-A1 Thia-triaza-cyclopentazulenes CCNA1, MKI67, CCNT1 PIK3CG 4763/4885LMNA 3302/4885GAA 909/4885

“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.