SCHEMBL16183608

SCHEMBL16183608

Cc1c(-c2cc(F)c(F)c(F)c2)ccc2c(N)nc(-c3cccnc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CYP17A1 P05093 2/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA5 P30532 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ DHFR P00374 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 4/20 0.36

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
SCHEMBL16183601 0.85 CYP3A4 (0.50) TSHRCYP17A1CYP11B1CYP11B2CYP3A4
SCHEMBL16183605 0.85 TSHR (0.50) SMN1; SMN2TSHRNPSR1CYP17A1CYP11B1
SCHEMBL16183607 0.78 SMN1; SMN2 (0.47) SMN1; SMN2TSHRNPSR1ADORA2AADORA1
SCHEMBL16183626 0.77 DHFR (0.46) SMN1; SMN2TSHRADORA2AADORA1CYP3A4
SCHEMBL16183854 0.76 CYP3A4 (0.52) TSHRCYP17A1CYP11B1CYP11B2CYP3A4
SCHEMBL14474641 0.75 CYP1A2 (0.49) TSHRCYP3A4POLBCHRNB2CHRNA5
SCHEMBL14474991 0.75 CYP1A2 (0.51) TSHRCYP3A4POLBLMNAMAPT
SCHEMBL16183600 0.74 CYP3A4 (0.47) TSHRCYP17A1CYP11B1CYP11B2CYP3A4
SCHEMBL16183286 0.72 CHRNB2 (0.47) SMN1; SMN2TSHRNPSR1CYP11B1CYP11B2
SCHEMBL16183598 0.72 CYP3A4 (0.51) TSHRCYP17A1CYP11B1CYP11B2CYP3A4

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 3987/4885TSHR 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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