SCHEMBL21141124

SCHEMBL21141124

CC(C)(C)c1ccc(-c2ncnc3cc(-c4ccc(F)cc4)sc23)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.70
TYK2 P29597 1/20 0.59
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAP3K8 P41279 1/20 0.48
PDPK1 O15530 1/20 0.46
STK17B O94768 2/20 0.44
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
IKBKB O14920 1/20 0.41
PRKCI P41743 1/20 0.40
BRAF P15056 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40

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
SCHEMBL21140938 0.85 KIT (0.76) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15504610 0.83 KIT (1.00) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15516547 0.77 KIT (0.67) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15504609 0.76 KIT (0.71) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15689741 0.75 KIT (0.66) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL29892907 0.74 DHODH (0.47) KITKMT2A
SCHEMBL15515825 0.74 KIT (0.59) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15703490 0.74 TYK2 (0.65) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15504606 0.74 RAB9A (0.68) KITTYK2NPC1RAB9AMAP3K8
SCHEMBL15515559 0.72 KIT (1.00) KITNPC1RAB9AKMT2A

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.