SCHEMBL503528

SCHEMBL503528

Cc1ccnc(-c2nc(C(F)(F)F)n[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
METAP2 P50579 1/20 0.46
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.38
CYP2A6 P11509 1/20 0.36
UHRF1 Q96T88 1/20 0.35
HPGD P15428 1/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
NPC1 O15118 1/20 0.34
ALPL P05186 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL28440735 0.88 CCR1 (0.44) CCR1CCR5CCR8METAP2PTGS2
SCHEMBL14460983 0.82 METAP2 (0.36) METAP2NPC1ALPLPKMALOX15
SCHEMBL18678649 0.82 KDM5B (0.31) METAP2KDM5B
SCHEMBL29756493 0.81 METAP2 (0.36) METAP2NPC1ALPLPKMALOX15
SCHEMBL12750071 0.81 NPC1 (0.32) NPC1ALPLPKMALOX15RAB9A
SCHEMBL504223 0.81 CCR1 (0.51) CCR1CCR5CCR8CYP2A6NPC1
SCHEMBL15907865 0.79 CCR1 (0.55) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL503439 0.76 L3MBTL1 (0.60) CCR1CCR5CCR8METAP2HPGD
SCHEMBL12750083 0.76 NPC1 (0.37) NPC1ALPLPKMALOX15RAB9A
SCHEMBL29635188 0.75 L3MBTL1 (0.58) CCR1CCR5CCR8METAP2HPGD

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
US-10862049-B2 Composition, organic-electroluminescence-device material, composition film, organic electroluminescence device, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2020-12-08 US disclosed
US-20120025177-A1 Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand SOLVAY SA (BE) 2012-02-02 US disclosed
EP-2393820-A1 PHOSPHORESCENT LIGHT-EMITTING IRIDIUM COMPLEX CONTAINING PYRIDYLTRIAZOLE LIGAND Solvay SA (BE) 2011-12-14 EP disclosed
US-7915414-B2 Blue-emitting organometallic complexes and their application Chi, Yun (TW) 2011-03-29 US disclosed
WO-2010090362-A1 PHOSPHORESCENT LIGHT-EMITTING IRIDIUM COMPLEX CONTAINING PYRIDYLTRIAZOLE LIGAND PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2010-08-12 WO disclosed
US-20080125591-A1 Blue-Emitting Organometallic Complexes And Their Application Chi, Yun (TW) 2008-05-29 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 (3 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-10862049-B2 Composition, organic-electroluminescence-device material, composition film, organic electroluminescence device, and electronic device PIEZO1, C1S, C5 CCR1 1971/4885CCR5 3365/4885CCR8 3700/4885
US-20080125591-A1 Blue-Emitting Organometallic Complexes And Their Application CYBA, IK, CRY1 CCR1 4516/4885CCR5 3708/4885CCR8 4712/4885
US-20120025177-A1 Phosphorescent light-emitting iridium complex containing pyridyltriazole ligand PPIP5K2, HPRT1, PHPT1 CCR1 3890/4885CCR5 3260/4885CCR8 3813/4885

“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.