SCHEMBL21992218

SCHEMBL21992218

CC(C)c1cc(-c2cc#ccc2)nc(-c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.40
KMT2A Q03164 8/20 0.40
MAPT P10636 4/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
DHODH Q02127 1/20 0.38
ADORA1 P30542 4/20 0.38
ADORA2A P29274 3/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADORA2B P29275 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9704476 0.83 MEN1 (0.50) MEN1KMT2AMAPTTSHRATM
SCHEMBL21076103 0.80 MEN1 (0.47) MEN1KMT2AMAPTTSHRATM
SCHEMBL24795576 0.80 DHODH (0.49) MEN1KMT2AMAPTTSHRATM
SCHEMBL21304261 0.79 MEN1 (0.40) MEN1KMT2AMAPTTSHRATM
SCHEMBL11996121 0.76 KMT2A (0.49) MEN1KMT2AMAPTTSHRATM
SCHEMBL22260534 0.75 CYP19A1 (0.46) MEN1KMT2AMAPTTSHRATM
SCHEMBL11996119 0.75 CCR1 (0.50) MEN1KMT2AMAPTTSHRDHODH
SCHEMBL21889120 0.73 CASR (0.39) MEN1KMT2AMAPTTSHRATM
SCHEMBL12693950 0.72 ASIC3 (0.50) MEN1KMT2AMAPTTSHRATM
SCHEMBL11996107 0.72 CYP19A1 (0.65) DHODHADORA1RAB9AALDH1A1KDM4E

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-10644249-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2020-05-05 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-10644249-B2 Composition of matter for use in organic light-emitting diodes NDUFV3, SLCO1B3, CRY2 MEN1 3483/4885KMT2A 4300/4885MAPT 177/4885

“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.