SCHEMBL19628756

SCHEMBL19628756

Cn1cnc(-c2cc(Cl)ccn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM2B Q8NHM5 1/20 0.51
▸ PHF8 Q9UPP1 1/20 0.51
▸ KDM5A P29375 3/20 0.50
▸ KDM5B Q9UGL1 3/20 0.50
▸ CYP2E1 P05181 1/20 0.45
▸ CYP2A6 P11509 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2B6 P20813 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CCR1 P32246 2/20 0.42
▸ CCR5 P51681 2/20 0.42
▸ CCR8 P51685 2/20 0.42
▸ KDM4C Q9H3R0 3/20 0.39
▸ KDM4A O75164 2/20 0.37
▸ SYK P43405 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PAK4 O96013 1/20 0.35
▸ LRRK2 Q5S007 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
SCHEMBL27710885 0.81 KDM2B (0.51) KDM2BPHF8KDM5AKDM5BCYP2E1
SCHEMBL30030674 0.81 CCR1 (0.68) KDM2BPHF8KDM5AKDM5BCYP2E1
SCHEMBL827247 0.79 CCR1 (0.48) CCR1CCR5CCR8ALDH1A1MAPT
SCHEMBL19628763 0.78 KDM5B (0.62) KDM2BKDM5AKDM5BKDM4CKDM4A
SCHEMBL24244214 0.75 KDM2B (0.49) KDM2BPHF8KDM5AKDM5BCYP2E1
SCHEMBL23119743 0.74 JMJD6 (0.57) KDM5BCCR1CCR5CCR8KDM4A
SCHEMBL16034025 0.74 KDM2B (0.48) KDM2BPHF8KDM5AKDM5BCYP2E1
SCHEMBL12075252 0.73 KDM4E (0.56) KDM2BPHF8KDM5AKDM5BCYP2E1
SCHEMBL23539461 0.73 CYP2E1 (0.56) KDM5BCYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL30042352 0.73 CYP2E1 (0.56) KDM5BCYP2E1CYP2A6CYP2C9CYP2B6

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-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-23 — — US disclosed
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-23 — — 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-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM2B 19/4885PHF8 30/4885KDM5A 8/4885

“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.

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