SCHEMBL21414343

SCHEMBL21414343

CCc1ccc(CN2CCNCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 12/20 0.49
▸ HRH3 Q9Y5N1 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ ADRA2C P18825 1/20 0.49
▸ CCR2 P41597 1/20 0.49
▸ CXCL12 P48061 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46

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
SCHEMBL20356732 0.85 HRH3 (0.62) HRH3MEN1KMT2ACYP1A2CYP2D6
SCHEMBL20443001 0.84 ALDH1A1 (0.54) HRH3MEN1KMT2ACYP1A2CYP2D6
SCHEMBL25728960 0.84 CYP1A2 (0.63) HRH3MEN1KMT2ACYP1A2CYP2D6
SCHEMBL10289221 0.83 LMNA (0.51) HRH3MEN1KMT2ACYP1A2CYP2D6
SCHEMBL12651283 0.81 HRH3 (0.53) CXCR4HRH3MEN1KMT2ACYP1A2
SCHEMBL14307263 0.81 CXCR4 (0.53) CXCR4HRH3MEN1CHRM2CHRM1
Hydrochloric Acid SCHEMBL31639376 0.81 CXCR4 (0.48) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL22642421 0.80 CXCR4 (0.47) CXCR4HRH3MEN1CHRM2CHRM1
SCHEMBL21414344 0.80 HRH3 (0.46) HRH3MEN1CHRM1KMT2ACYP1A2
SCHEMBL21414342 0.79 RAB9A (0.55) HRH3MEN1KMT2ACYP1A2CYP2D6

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 3 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
EP-3546458-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2019-10-02 — — EP 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-11084814-B2 Pyrido[3, 4-d]pyrimidine derivative and pharmaceutically acceptable salt thereof CDK4, CDK6, CDK16 CXCR4 702/4885HRH3 2223/4885MEN1 2438/4885

“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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