SCHEMBL20203429

SCHEMBL20203429

CC(C)c1ccc(CN2CCNCC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 11/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ ADRA2C P18825 1/20 0.47
▸ CCR2 P41597 1/20 0.47
▸ CXCL12 P48061 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ CDK4 P11802 3/20 0.45
▸ CCND3 P30281 1/20 0.45
▸ CCND1 P24385 2/20 0.42

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
SCHEMBL18291648 0.94 CXCR4 (0.57) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL21414369 0.87 CXCR4 (0.44) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL4547913 0.86 HRH3 (0.50) HRH3
SCHEMBL12028959 0.86 HRH3 (0.47) MEN1KMT2AHRH3
SCHEMBL21414366 0.85 CXCR4 (0.45) CXCR4MEN1CHRM2CHRM1ADRA2C
SCHEMBL25896863 0.84 HRH3 (0.53) MEN1KMT2AHRH3
SCHEMBL20037425 0.84 PRMT5 (0.44) KMT2ACDK4CCND3
SCHEMBL20203451 0.83 ALDH1A1 (0.51) MEN1KMT2ACDK4CCND1
SCHEMBL17660303 0.83 LMNA (0.50) MEN1KMT2AHRH3
SCHEMBL21414398 0.82 CDK4 (0.48) CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof TEIJIN PHARMA LIMITED (JP) 2021-08-10 — — US disclosed
EP-3546458-B1 ((PYRIDIN-2-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE AND ((PYRIDAZIN-3-YL)-AMINO)PYRIDO[3,4-D]PYRIMIDINE DERIVATIVES AS CDK4/6 INHIBITORS FOR TREATING E.G. RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, PULMONARY FIBROSIS, CEREBRAL INFARCTION OR CANCER TEIJIN PHARMA LTD (JP) 2021-01-06 — — EP disclosed
US-10633350-B2 Diphenyl derivatives and uses thereof NOVARTIS AG (CH) 2020-04-28 — — US disclosed
EP-3546458-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2019-10-02 — — EP disclosed
US-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-03-14 — — US disclosed
WO-2018097297-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF 帝人ファーマ株式会社 2018-05-31 — — WO 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 (3 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-20190077773-A1 DIPHENYL DERIVATIVES AND USES THEREOF MYOF, NGF, MUSK CXCR4 4784/4885MEN1 4366/4885CHRM2 4177/4885
US-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 CXCR4 702/4885MEN1 2438/4885CHRM2 4831/4885
US-10633350-B2 Diphenyl derivatives and uses thereof MYOF, NGF, MUSK CXCR4 4784/4885MEN1 4366/4885CHRM2 4177/4885

“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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