SCHEMBL21831808

SCHEMBL21831808

Cc1cc2ccc[c]c2n1C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9208233 0.71 MAPT (0.50) ALDH1A1
SCHEMBL8557822 0.71 BRPF1 (0.50) KDM4EALDH1A1LMNA
SCHEMBL21831539 0.68 GPR3 (0.32) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL3482983 0.68 CASP1 (0.34) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL1419206 0.67 NQO2 (0.34)
SCHEMBL4006181 0.67 KDM4E (0.42) KDM4EALDH1A1LMNAMEN1NPC1
SCHEMBL29378766 0.66 KMT2A (0.55) KDM4EALDH1A1LMNAMEN1NPC1
SCHEMBL154592 0.66 KMT2A (0.55) KDM4EALDH1A1LMNAMEN1NPC1
Ammonia Solution, Strong SCHEMBL28142197 0.64 KMT2A (0.53) KDM4EALDH1A1LMNAMEN1NPC1
SCHEMBL1092872 0.63 ALKBH5 (0.42) KDM4EALDH1A1LMNAMEN1NPC1

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
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP claimed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US claimed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN claimed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US disclosed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN 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-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 KDM4E 1545/4885ALDH1A1 418/4885LMNA 4541/4885

“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.