SCHEMBL20203513

SCHEMBL20203513

CSc1ncc2cc(C(C)OC(=O)c3ccccc3)nc(N3CCCCC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
TP53 P04637 4/20 0.36
HPGD P15428 1/20 0.36
NPY5R Q15761 1/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
AKT3 Q9Y243 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
P2RY12 Q9H244 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SCN1A P35498 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
SRC P12931 3/20 0.34
ABL1 P00519 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL20203540 1.00 KMT2A (0.42) KMT2AMEN1TP53HPGDNPY5R
SCHEMBL20203476 0.90 GAA (0.37) KMT2AMEN1TP53HPGDAKT1
SCHEMBL20203474 0.90 MEN1 (0.35) KMT2AMEN1TP53P2RY12NPC1
SCHEMBL21403245 0.85 KMT2A (0.37) KMT2AMEN1TP53AKT1AKT2
SCHEMBL20203485 0.85 KMT2A (0.37) KMT2AMEN1TP53AKT1AKT2
SCHEMBL20203512 0.84 AKT1 (0.34) KMT2AMEN1TP53HPGDNPY5R
SCHEMBL21403227 0.84 AKT1 (0.34) KMT2AMEN1TP53HPGDNPY5R
SCHEMBL20207266 0.81 SMN1; SMN2 (0.37) KMT2AMEN1TP53HPGDALDH1A1
SCHEMBL20037602 0.81 HASPIN (0.37) TP53ALDH1A1TSHRLMNACYP1A2
SCHEMBL20203573 0.81 SMN1; SMN2 (0.37) KMT2AMEN1TP53HPGDALDH1A1

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
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
EP-3546458-A1 PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2019-10-02 EP 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 (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 KMT2A 657/4885MEN1 2438/4885TP53 176/4885

“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.