SCHEMBL22876994

SCHEMBL22876994

CCc1ccc(CN2CCN(CCO)C(=O)C2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 4/20 0.46
▸ WDR77 Q9BQA1 4/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ PLA2G2A P14555 2/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ MCHR1 Q99705 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ APP P05067 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL20203567 0.82 PRMT5 (0.48) PRMT5WDR77MEN1KMT2APLA2G2A
SCHEMBL21414363 0.82 ALDH1A1 (0.55) PRMT5WDR77MEN1KMT2AHRH3
SCHEMBL10289221 0.75 LMNA (0.51) MEN1KMT2AHRH3CYP1A2CYP2D6
SCHEMBL21414430 0.74 HRH3 (0.58) MEN1KMT2AHRH3CYP1A2CYP2D6
SCHEMBL20443001 0.73 ALDH1A1 (0.54) PRMT5WDR77MEN1KMT2AHRH3
SCHEMBL22876979 0.72 ALDH1A1 (0.56) MEN1KMT2AHRH3CYP1A2CYP2D6
SCHEMBL12829333 0.72 MEN1 (0.69) MEN1KMT2AHRH3CYP2D6ALDH1A1
SCHEMBL20356732 0.72 HRH3 (0.62) MEN1KMT2AHRH3CYP1A2CYP2D6
SCHEMBL24801766 0.71 KMT2A (0.41) MEN1KMT2APLA2G2AMCHR1ALDH1A1
SCHEMBL25728960 0.70 CYP1A2 (0.63) MEN1KMT2AHRH3CYP1A2CYP2D6

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-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

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 PRMT5 1943/4885WDR77 1134/4885MEN1 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.

Send feedback