SCHEMBL17463142

SCHEMBL17463142

Cc1cncc(-c2ccncc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
DYRK1A Q13627 1/20 0.43
BRAF P15056 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
GSK3B P49841 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 3/20 0.41
IDO1 P14902 1/20 0.41
CDC7 O00311 1/20 0.41
CYP2A6 P11509 1/20 0.40
AR P10275 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL2614938 0.83 RAB9A (0.47) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL18850044 0.83 CYP11B1 (0.50) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL25524135 0.79 CYP11B1 (0.47) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL2614937 0.79 SCN10A (0.49) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL10165308 0.79 CYP11B2 (0.55) CYP11B1CYP11B2NPC1RAB9AKDM4E
SCHEMBL2614930 0.79 CYP11B2 (0.48) CYP11B1CYP11B2LMNAIDO1
SCHEMBL3422108 0.78 CYP11B1 (0.43) CYP11B1CYP11B2CYP2A6GRM5
SCHEMBL13097166 0.78 CYP2A6 (0.68) BRAFMAPTKDM4ELMNASMN1; SMN2
SCHEMBL28740963 0.76 CYP2A6 (0.51) CYP11B1CYP11B2NPC1KDM4ECYP2A6
SCHEMBL27451301 0.76 CHEK1 (0.59) CYP11B1CYP11B2DYRK1ANPC1RAB9A

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-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US disclosed
US-9666807-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-9666807-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-30 US disclosed
US-20160028017-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-01-28 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-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS ITGB6, ITGA5, ITGAV CYP11B1 4804/4885CYP11B2 4691/4885DYRK1A 4086/4885

“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.