SCHEMBL21140938

SCHEMBL21140938

Cc1ccc(-c2ncnc3cc(-c4ccc(F)cc4)sc23)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 12/20 0.76
TYK2 P29597 1/20 0.63
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAP3K8 P41279 2/20 0.51
PDPK1 O15530 1/20 0.49
EGFR P00533 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47

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
SCHEMBL15504610 0.86 KIT (1.00) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL21141124 0.85 KIT (0.70) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15515559 0.85 KIT (1.00) KITNPC1RAB9AKMT2A
SCHEMBL17268783 0.81 MAP3K8 (0.58) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15516547 0.80 KIT (0.67) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15504609 0.79 KIT (0.71) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL4065012 0.78 TYK2 (0.66) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15689741 0.78 KIT (0.66) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15504606 0.77 RAB9A (0.68) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL17268775 0.77 NPC1 (0.72) KITTYK2NPC1RAB9AMAP3K8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190207127-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-07-04 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-20190207127-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICES EMPLOYING THE SAME APOL1, MSL1, MRPS22 KIT 2452/4885TYK2 2055/4885NPC1 2211/4885

“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.