SCHEMBL4172267

SCHEMBL4172267

Cc1cc(C)c2nc(Cl)nc(Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.44
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
RAD52 P43351 2/20 0.41
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
MPI P34949 1/20 0.39
DHODH Q02127 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL27101009 0.84 PDE10A (0.36) ALDH1A1POLBHTT
SCHEMBL23520672 0.84 PARP1 (0.44) PARP1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL29343954 0.82 KDM4E (0.33) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL30634862 0.81 PRNP (0.38) KDM4EALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL17884005 0.81 PRNP (0.38) KDM4EALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL26671293 0.81 KDM4E (0.36) KDM4EALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL11608932 0.81 KDM4E (0.46) PARP1KDM4EALDH1A1SMN1; SMN2KMT2A
SCHEMBL4184952 0.81 DHODH (0.41) PARP1ALDH1A1HTTDHODH
SCHEMBL20660532 0.78 APP (0.37) ALDH1A1SMN1; SMN2HTTMAPTXBP1
SCHEMBL12134833 0.78 ACHE (0.39) KDM4EALDH1A1SMN1; SMN2KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230262-A1 TRICYCLIC COMPOUNDS AS PI3KALPHA INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-11-30 WO disclosed
US-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2009-01-01 US disclosed
WO-2008086462-A2 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS WYETH (US) 2008-07-17 WO disclosed
WO-1997020823-A2 2-AMINO QUINAZOLINE DERIVATIVES AS NPY RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 1997-06-12 WO disclosed
US-4102885-A Process for preparing 2,4-dihaloquinazolines BRISTOL-MYERS COMPANY (US) 1978-07-25 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-20090004185-A1 AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF BETA-CATENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS TCF4, CTNNB1, TCF7 PARP1 1853/4885KDM4E 812/4885ALDH1A1 2808/4885

“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.