SCHEMBL16272018

SCHEMBL16272018

CC1C=C(c2ccccn2)CCN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.41
LMNA P02545 3/20 0.41
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
TP53 P04637 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
NISCH Q9Y2I1 1/20 0.40
METAP2 P50579 1/20 0.38
NPC1 O15118 5/20 0.37
RAB9A P51151 4/20 0.37
ALOX15 P16050 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36

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
Hydrochloric Acid SCHEMBL17667429 0.98 KDM4E (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3653136 0.75 SIGMAR1 (0.42) NISCHRAB9ACCNT1CDK9
SCHEMBL17721307 0.72 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30428092 0.72 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL10426369 0.72 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL245496 0.71 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL12855694 0.70 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5115653 0.69 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30454304 0.68 SIGMAR1 (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL169400 0.68 SIGMAR1 (0.56) KDM4ELMNACCR1CCR5CCR8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-9732065-B2 Cyclic aminomethyl pyrimidine derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-08-15 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
US-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-05-05 US disclosed
WO-2014192868-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE 大日本住友製薬株式会社 (JP) 2014-12-04 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-20160122319-A1 CYCLIC AMINOMETHYL PYRIMIDINE DERIVATIVE DRD2, DRD4, DRD1 KDM4E 1245/4885LMNA 4884/4885CCR1 1031/4885

“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.