SCHEMBL19634091

SCHEMBL19634091

CCC(c1cncnc1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.33
ESR1 P03372 4/20 0.33
ESR2 Q92731 3/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9963714 0.76 KMT2A (0.36) CYP19A1LMNAMAPTCYP2C9ALOX15
SCHEMBL12041554 0.75 CFTR (0.47) CYP19A1LMNASLC6A2SLC6A3
SCHEMBL10702025 0.75 LMNA (0.33) LMNA
SCHEMBL9918221 0.75 CYP19A1 (0.38) CYP19A1
SCHEMBL9918857 0.75 CYP19A1 (0.31) CYP19A1
SCHEMBL29756098 0.74 CYP19A1 (0.34) CYP19A1AKR1C3AKR1C2
SCHEMBL17429857 0.73 CYP19A1 (0.37) CYP19A1ESR1ESR2AKR1C3AKR1C2
SCHEMBL12041551 0.73 SLC6A2 (0.41) CYP19A1ESR1ESR2LMNACYP1A2
SCHEMBL15797530 0.72 TAAR1 (0.31) CYP19A1TAAR1
SCHEMBL18896352 0.71 CYP19A1 (0.35) CYP19A1ESR1ESR2

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-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof XUANZHU PHARMA CO, LTD. (CN) 2019-12-17 US disclosed
US-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF XUANZHU PHARMA CO, LTD. (CN) 2017-11-23 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 (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-20170333433-A1 QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF NQO2, CHRM1, CHRM2 CYP19A1 115/4885ESR1 1726/4885ESR2 2099/4885
US-10507209-B2 Quinazoline derivatives substituted by aniline, preparation method and use thereof NQO2, CHRM1, CHRM2 CYP19A1 115/4885ESR1 1726/4885ESR2 2099/4885

“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.