SCHEMBL26323315

SCHEMBL26323315

CC1=NCCC(Nc2ccc3[nH]c(-c4ccc(C)cn4)nc3c2)=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 4/20 0.34
▸ METAP2 P50579 3/20 0.34
▸ METAP1 P53582 3/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ PKM P14618 1/20 0.34
▸ KDR P35968 2/20 0.32
▸ MET P08581 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ HPGD P15428 2/20 0.30
▸ TP53 P04637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ HPSE Q9Y251 1/20 0.30
▸ CCR1 P32246 1/20 0.30
▸ CCR5 P51681 1/20 0.30

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
SCHEMBL26323330 0.85 KDR (0.42) NPC1RAB9AKDRMETSMN1; SMN2
SCHEMBL26323357 0.80 ADRA2A (0.33) NPC1RAB9ASMN1; SMN2POLBCCR1
SCHEMBL26323371 0.78 CBFB (0.36) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL26147165 0.75 MAPT (0.32) SMN1; SMN2POLBHSD17B10
SCHEMBL26158811 0.74 METAP2 (0.52) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL26323321 0.74 KDR (0.39) NPC1RAB9AKDRMETSMN1; SMN2
SCHEMBL124413 0.67 CBFB (0.58) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL35032 0.67 CBFB (0.50) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL125273 0.67 KCNH2 (0.45) CBFBMETAP2METAP1NPC1RAB9A
SCHEMBL11460146 0.67 NPC1 (0.61) CBFBMETAP2METAP1NPC1RAB9A

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-20230295114-A1 AKT3 MODULATORS Georgiamune Inc. 2023-09-21 — — 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-20230295114-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CBFB 3072/4885METAP2 3851/4885METAP1 4055/4885

“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.

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