SCHEMBL14746119

SCHEMBL14746119

CC1(C)C(=O)Nc2nc(-c3nc(Cc4ccccc4F)c4ncccn34)nc(N)c21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 2/20 0.53
GUCY1B1 Q02153 2/20 0.53
KCNH2 Q12809 2/20 0.53
PDE5A O76074 18/20 0.49

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
SCHEMBL19480647 0.91 PDE5A (0.59) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14746629 0.90 PDE5A (0.53) PDE5A
SCHEMBL14746248 0.86 PDE5A (0.63) PDE5A
SCHEMBL14754751 0.83 PDE5A (0.49) PDE5A
SCHEMBL17324493 0.82 GUCY1A1 (0.53) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL3575506 0.78 L3MBTL1 (0.42)
SCHEMBL3579101 0.77 NPC1 (0.41) GUCY1A1GUCY1B1KCNH2
SCHEMBL2450847 0.76 GUCY1A1 (0.57) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL2451805 0.76 GUCY1A1 (0.62) GUCY1A1GUCY1B1KCNH2PDE5A
SCHEMBL14788248 0.75 GUCY1A1 (0.48) GUCY1A1GUCY1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
EP-2751106-B1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER IP GMBH (DE) 2017-10-18 EP disclosed
US-20150105374-A1 Substituted annellated pyrimidines and use thereof BAYER IP GMBH (DE) 2015-04-16 US disclosed
US-20150105374-A1 Substituted annellated pyrimidines and use thereof BAYER IP GMBH (DE) 2015-04-16 US disclosed
US-20150105374-A1 Substituted annellated pyrimidines and use thereof BAYER IP GMBH (DE) 2015-04-16 US disclosed
EP-2802587-A2 SUBSTITUTED, ANNULATED IMIDAZOLES AND PYRAZOLES, AND USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-11-19 EP disclosed
US-8859569-B2 Substituted annellated pyrimidines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-14 US disclosed
US-8859569-B2 Substituted annellated pyrimidines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-10-14 US disclosed
EP-2751106-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF Bayer Intellectual Property GmbH (DE) 2014-07-09 EP disclosed
WO-2013104598-A2 SUBSTITUTED, ANNULATED IMIDAZOLES AND PYRAZOLES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-18 WO disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 WO disclosed
WO-2013030288-A1 SUBSTITUTED ANNELLATED PYRIMIDINE AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-07 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-20150105374-A1 Substituted annellated pyrimidines and use thereof TYMS, TYMP, NUDT1 GUCY1A1 2669/4885GUCY1B1 2119/4885KCNH2 3446/4885

“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.