SCHEMBL14697209

SCHEMBL14697209

CCOC(=O)C1CC=C(c2nc(-c3cc(C)ccc3O)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.47
CCNT1 O60563 1/20 0.47
CYP19A1 P11511 2/20 0.46
CDK5 Q00535 5/20 0.37
CDK5R1 Q15078 5/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.36
TSHR P16473 2/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CLK1 P49759 1/20 0.34
KMT2A Q03164 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
SCHEMBL14709284 0.91 CDK9 (0.57) CDK9CCNT1CYP19A1CDK5CDK5R1
SCHEMBL14709306 0.91 CDK9 (0.46) CDK9CCNT1CYP19A1CDK5CDK5R1
SCHEMBL14709494 0.89 CDK9 (0.44) CDK9CCNT1CYP19A1MAPTALDH1A1
SCHEMBL14709295 0.88 CDK9 (0.44) CDK9CCNT1CYP19A1CDK5CDK5R1
SCHEMBL15164485 0.81 MEN1 (0.38) CDK9CCNT1KMT2AMAPK1
SCHEMBL19111260 0.80 CYP19A1 (0.51) CYP19A1MAPTHPGDNPC1RAB9A
SCHEMBL2579581 0.79 PDK1 (0.40) CDK9CCNT1MAPTALDH1A1HPGD
SCHEMBL2579579 0.79 PDK1 (0.40) CDK9CCNT1MAPTALDH1A1HPGD
SCHEMBL14697133 0.78 CYP19A1 (0.43) CYP19A1CDK5CDK5R1MAPTPOLB
SCHEMBL14709506 0.78 CDK9 (0.39) CDK9CCNT1MAPTPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2766360-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2017-07-12 EP disclosed
EP-2766360-B1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INT (DE) 2017-07-12 EP disclosed
US-8815857-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-26 US disclosed
US-8815857-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-26 US disclosed
US-8815857-B2 Soluble guanylate cyclase activators BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-26 US disclosed
EP-2766360-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Boehringer Ingelheim International GmbH (DE) 2014-08-20 EP disclosed
US-20130203729-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 US disclosed
US-20130203729-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 US disclosed
US-20130203729-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-08 US disclosed
WO-2013025425-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-21 WO disclosed
WO-2013025425-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-21 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 (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-20130203729-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1A2, GUCY1A1, GUCY1B1 CDK9 2729/4885CCNT1 2067/4885CYP19A1 2762/4885

“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.