SCHEMBL3060475

SCHEMBL3060475

O=C(O)Nc1ccc2c(c1)NCN=C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVRL1 P37023 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
PKM P14618 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
CDK9 P50750 1/20 0.31
JAK3 P52333 1/20 0.31
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
MAPT P10636 1/20 0.30
NPC1 O15118 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL11973901 0.65 TRPV1 (0.55) GAAKDM4ERAB9AALDH1A1KMT2A
SCHEMBL17611365 0.65 ACVRL1 (0.74) ACVRL1JAK2JAK1TYK2CDK9
SCHEMBL1182175 0.64 NPC1 (0.31) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL5579398 0.64 ROCK2 (0.31) RAB9AKMT2AMEN1JAK2JAK1
SCHEMBL10778839 0.63 SMN1; SMN2 (0.52) GAARAB9AKMT2ASMN1; SMN2CDK9
SCHEMBL15880685 0.63 SMARCA2 (0.65) KMT2AMEN1SMARCA2SMARCA4
SCHEMBL28723867 0.63 SMARCA2 (0.44) ACVRL1KMT2ASMN1; SMN2PKMJAK2
SCHEMBL1234281 0.62 MDM2 (0.70) GAAKDM4ERAB9AKMT2AMEN1
SCHEMBL691153 0.61 MAPT (0.60) GAAKDM4ERAB9AALDH1A1KMT2A
SCHEMBL30065879 0.61 STS (0.44) GAARAB9AALDH1A1KMT2AMEN1

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-20100267752-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US disclosed
US-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. 2008-10-16 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 (2 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-20080255161-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 ACVRL1 4576/4885GAA 1249/4885KDM4E 841/4885
US-20100267752-A1 3-HYDROQUINAZOLIN-4-ONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, ECHS1 ACVRL1 4576/4885GAA 1249/4885KDM4E 841/4885

“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.