SCHEMBL19786689

SCHEMBL19786689

Clc1ccnc(-c2cccnc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.64
LOXL2 Q9Y4K0 1/20 0.58
ABL1 P00519 1/20 0.55
BCR P11274 1/20 0.55
PRKCA P17252 1/20 0.55
PRKCD Q05655 1/20 0.55
ROS1 P08922 1/20 0.52
CYP3A4 P08684 4/20 0.50
CYP19A1 P11511 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
PTK2 Q05397 1/20 0.50
NPY5R Q15761 1/20 0.49
KMO O15229 1/20 0.49
CYP2E1 P05181 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2B6 P20813 2/20 0.49
CYP2C19 P33261 2/20 0.49

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
SCHEMBL31191947 0.81 CYP19A1 (0.67) CYP2A6ABL1BCRPRKCAPRKCD
SCHEMBL9957141 0.81 PIM1 (0.41) CYP2A6LOXL2ABL1BCRPRKCA
SCHEMBL1760672 0.81 CYP2A6 (0.68) CYP2A6LOXL2CYP3A4CYP19A1ALDH1A1
SCHEMBL1662224 0.80 ASIC3 (0.59) ALDH1A1HSP90AA1KMOPIM1
SCHEMBL12957243 0.79 CYP2A6 (0.66) CYP2A6LOXL2CYP3A4CYP19A1ALDH1A1
SCHEMBL15947898 0.79 PIM1 (0.57) CYP19A1KMOPIM1
SCHEMBL18905218 0.78 CYP19A1 (0.68) CYP2A6LOXL2ABL1PRKCAPRKCD
SCHEMBL2666350 0.78 CYP2A6 (1.00) CYP2A6LOXL2ABL1BCRCYP3A4
SCHEMBL14290216 0.78 CYP2A6 (0.64) CYP2A6LOXL2CYP3A4CYP19A1ALDH1A1
SCHEMBL22333823 0.78 CYP2A6 (0.64) CYP2A6LOXL2ABL1PRKCAPRKCD

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-20190300535-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2019-10-03 US disclosed
WO-2018012781-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-01-18 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-20190300535-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF ORC3, OR51E2, ORAI2 CYP2A6 2721/4885LOXL2 229/4885ABL1 1493/4885

“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.