SCHEMBL14358728

SCHEMBL14358728

Nc1nc(-c2cccnc2)nc2c(Br)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ ADORA2A P29274 2/20 0.45
▸ ADORA1 P30542 1/20 0.45
▸ CYP1A2 P05177 5/20 0.45
▸ CYP1A1 P04798 1/20 0.45
▸ CYP1B1 Q16678 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA5 P30532 1/20 0.43

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
SCHEMBL16184162 0.82 KMT2A (0.46) SMN1; SMN2TSHRNPSR1CYP1A2LMNA
SCHEMBL16183607 0.82 SMN1; SMN2 (0.47) SMN1; SMN2TSHRNPSR1ADORA2AADORA1
SCHEMBL30843879 0.77 CYP1A2 (0.62) SMN1; SMN2TSHRNPSR1CYP1A2CYP1A1
SCHEMBL30804557 0.77 CYP1A2 (0.62) SMN1; SMN2TSHRNPSR1CYP1A2CYP1A1
SCHEMBL13272569 0.77 CYP1A2 (0.62) SMN1; SMN2TSHRNPSR1CYP1A2CYP1A1
SCHEMBL27953970 0.77 ADORA2A (0.44) SMN1; SMN2TSHRNPSR1ADORA2AADORA1
SCHEMBL14358581 0.76 KDM4E (0.48) CYP1A2LMNAPOLBALDH1A1KDM4E
SCHEMBL27953969 0.76 RAB9A (0.46) SMN1; SMN2TSHRNPSR1ADORA2ACYP1A2
SCHEMBL24532042 0.76 ABCG2 (0.53) SMN1; SMN2TSHRNPSR1ADORA2AADORA1
Hydrochloric Acid SCHEMBL11861199 0.76 CYP1A2 (0.61) TSHRNPSR1CYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
US-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-10-23 — — US disclosed
EP-2726485-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE Otsuka Pharmaceutical Co., Ltd. (JP) 2014-05-07 — — EP disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — WO disclosed
WO-2013003586-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-03 — — 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-20140315886-A1 QUINAZOLINES AS THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP2CA, PPP4C, PPP3CB SMN1; SMN2 3987/4885TSHR 2280/4885NPSR1 455/4885

“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.

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