SCHEMBL14746377

SCHEMBL14746377

Cc1nc2c(cc1F)c(I)nn2Cc1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.56
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 4/20 0.43
PKLR P30613 3/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL16370316 0.90 PDE5A (0.57) PDE5APKMPKLR
SCHEMBL19480648 0.88 PDE5A (0.56) PDE5ACYP1A2CYP2C19PKMPKLR
SCHEMBL14754722 0.84 PDE5A (0.52) PDE5ACYP1A2CYP2C19MEN1KMT2A
SCHEMBL20140296 0.83 PDE5A (0.45) PDE5ACYP1A2CYP2C19MEN1KMT2A
SCHEMBL14746488 0.82 PDE5A (0.52) PDE5ACYP1A2CYP2C19PKMPKLR
SCHEMBL19228853 0.81 PDE5A (0.41) PDE5A
SCHEMBL14746117 0.81 PDE5A (0.56) PDE5ACYP1A2CYP2C19PKMPKLR
SCHEMBL14754825 0.80 PDE5A (0.49) PDE5ACYP1A2CYP2C19ALDH1A1
SCHEMBL19228854 0.80 PDE5A (0.56) PDE5APKMPKLRKMT2A
SCHEMBL174461 0.78 PDE5A (0.52) PDE5AMEN1KMT2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3007556-A2 CELL STABILIZATION Biomatrica, INC. (US) 2016-04-20 EP claimed
WO-2015002729-A2 CELL STABILIZATION BIOMATRICA, INC. (US) 2015-01-08 WO claimed
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-20170240566-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-20170240566-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-24 US disclosed
US-20170233413-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-17 US disclosed
US-20170233413-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-17 US disclosed
US-9505786-B2 Substituted annulated triazines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-29 US disclosed
US-9505786-B2 Substituted annulated triazines and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-29 US disclosed
EP-3007556-A2 CELL STABILIZATION Biomatrica, INC. (US) 2016-04-20 EP disclosed
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-12-04 US disclosed
EP-2802592-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (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-2013104703-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-07-18 WO disclosed
WO-2013104703-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-07-18 WO disclosed
WO-2013029116-A1 METHOD FOR PREDICTING TREATMENT RESPONSIVENESS MONASH UNIVERSITY (AU) 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 (3 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-20170240566-A1 AMINO-SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF TYMP, TYMS, DPYD PDE5A 1769/4885CYP1A2 1187/4885CYP2C19 573/4885
US-20170233413-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND USE THEREOF TYMP, DPYD, TYMS PDE5A 1936/4885CYP1A2 742/4885CYP2C19 337/4885
US-20140357637-A1 SUBSTITUTED ANNULATED PYRIMIDINES AND TRIAZINES, AND USE THEREOF TYMP, DPYD, TYMS PDE5A 1705/4885CYP1A2 363/4885CYP2C19 359/4885

“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.