SCHEMBL14944871

SCHEMBL14944871

COC(=O)c1ccnc(-c2cc(C)ccn2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.73
KDM6B O15054 2/20 0.73
KDM5C P41229 2/20 0.73
KDM4C Q9H3R0 2/20 0.73
KDM2A Q9Y2K7 2/20 0.73
KDM3A Q9Y4C1 2/20 0.73
JMJD6 Q6NYC1 9/20 0.68
CCR1 P32246 1/20 0.57
CCR5 P51681 1/20 0.57
CCR8 P51685 1/20 0.57
KDM5B Q9UGL1 1/20 0.54
ALOX15 P16050 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAOB P27338 1/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL15907871 0.94 KDM4E (0.66) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL70279 0.91 KDM4E (0.86) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29894587 0.91 KDM4E (0.86) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL6514670 0.90 KDM4E (0.83) KDM4EKDM6BKDM5CKDM4CKDM2A
Hydrochloric Acid SCHEMBL6504834 0.90 KDM4E (0.83) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30774379 0.85 KDM4E (0.76) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL19229659 0.85 KDM4E (0.76) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL2868531 0.85 KDM5C (1.00) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29670732 0.85 KDM5C (1.00) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL714108 0.85 KDM4E (0.76) KDM4EKDM6BKDM5CKDM4CKDM2A

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-20160039854-A1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (CA) 2016-02-11 US disclosed
US-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2013-05-16 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 (2 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-20130123344-A1 METHOD OF PREVENTING OR TREATING VIRAL INFECTION KDM1B, KDM1A, KDM2A KDM4E 21/4885KDM6B 8/4885KDM5C 16/4885
US-20160039854-A1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE PIN1, PPIF, PPOX KDM4E 3114/4885KDM6B 3686/4885KDM5C 1704/4885

“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.