SCHEMBL6100736

SCHEMBL6100736

Clc1nccc(Nc2ccccc2N2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.57
AURKA O14965 2/20 0.56
AURKB Q96GD4 1/20 0.56
P2RX7 Q99572 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK14 Q16539 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
TSHR P16473 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PLK4 O00444 1/20 0.47
MAPK8 P45983 1/20 0.47
KDM4E B2RXH2 2/20 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
SCHEMBL28965330 0.92 EPHB4 (0.65) EPHB4AURKAAURKBP2RX7SMN1; SMN2
SCHEMBL28445775 0.85 AURKA (0.47) EPHB4AURKAAURKBP2RX7ALDH1A1
SCHEMBL6982507 0.77 PLK4 (0.67) EPHB4AURKAAURKBSMN1; SMN2MAPK14
SCHEMBL28965333 0.77 EPHB4 (0.60) EPHB4AURKAAURKBSMN1; SMN2ALDH1A1
SCHEMBL3811820 0.77 IGF1R (0.50) EPHB4AURKAAURKBP2RX7SMN1; SMN2
SCHEMBL27613038 0.77 AURKA (0.58) EPHB4AURKAAURKBP2RX7SMN1; SMN2
SCHEMBL18335243 0.76 ALDH1A1 (0.53) EPHB4AURKAAURKBP2RX7SMN1; SMN2
SCHEMBL31620790 0.76 NPSR1 (0.61) EPHB4P2RX7SMN1; SMN2ALDH1A1NPSR1
SCHEMBL23925278 0.75 ALDH1A1 (0.51) EPHB4P2RX7SMN1; SMN2ALDH1A1NPSR1
SCHEMBL12614452 0.75 P2RX7 (0.46) P2RX7SMN1; SMN2ALDH1A1NPSR1TSHR

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-7153964-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2006-12-26 US disclosed
US-20030149064-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2003-08-07 US 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-20030149064-A1 Pyrimidine compounds CDK2, CCNI, CCNY EPHB4 3797/4885AURKA 72/4885AURKB 97/4885

“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.