SCHEMBL16183607

SCHEMBL16183607

Cc1c(Br)ccc2c(N)nc(-c3cccnc3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ ADORA2A P29274 2/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ CYP1A2 P05177 3/20 0.42
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 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
SCHEMBL14358728 0.82 SMN1; SMN2 (0.47) SMN1; SMN2NPSR1TSHRLMNAPOLB
SCHEMBL2154487 0.82 CYP1A2 (0.59) SMN1; SMN2NPSR1TSHRLMNACYP1A2
SCHEMBL16183602 0.82 TSHR (0.59) SMN1; SMN2NPSR1TSHRCYP1A2ALDH1A1
SCHEMBL16183608 0.78 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1TSHRLMNAPOLB
SCHEMBL14727632 0.74 CYP1A2 (0.50) SMN1; SMN2NPSR1TSHRLMNAPOLB
SCHEMBL16183410 0.73 SRD5A1 (0.39) SMN1; SMN2LMNAPOLBCYP1A2ALDH1A1
SCHEMBL29859473 0.72 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1TSHRLMNAPOLB
SCHEMBL2154726 0.71 KMT2A (0.55) SMN1; SMN2NPSR1TSHRPOLBADORA2A
SCHEMBL14475089 0.71 MKNK1 (0.54) SMN1; SMN2NPSR1TSHRLMNAPOLB
SCHEMBL30804557 0.71 CYP1A2 (0.62) SMN1; SMN2NPSR1TSHRLMNAPOLB

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 2 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

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 3987/4885NPSR1 455/4885TSHR 2280/4885

“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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