SCHEMBL21890845

SCHEMBL21890845

CNc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.40
▸ RPS6KA2 Q15349 1/20 0.40
▸ PLK4 O00444 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 2/20 0.38
▸ MAPT P10636 7/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ EPHX1 P07099 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ GAA P10253 4/20 0.37

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
SCHEMBL18058760 0.89 PTGS2 (0.41) RPS6KA3RPS6KA2MAPTTP53MAPK1
SCHEMBL18058762 0.87 HDAC8 (0.41) RPS6KA3RPS6KA2ALDH1A1TSHRMAPT
SCHEMBL18410384 0.86 MAPT (0.41) RPS6KA3RPS6KA2ALDH1A1TSHRMAPT
SCHEMBL17576245 0.85 AKR1C3 (0.44) ALDH1A1MAPTNPC1RAB9ATP53
SCHEMBL15731795 0.83 PIK3R1 (0.39) ALDH1A1MAPTNPC1RAB9APOLB
SCHEMBL20050092 0.82 ALDH1A1 (0.42) ALDH1A1TSHRMAPTNPC1RAB9A
SCHEMBL6330031 0.82 KMT2A (0.49) ALDH1A1MAPTNPC1RAB9AMAPK1
SCHEMBL1919863 0.82 AKR1C3 (0.44) ALDH1A1MAPTNPC1RAB9AATM
SCHEMBL29483984 0.82 RAD51 (0.51) TSHRMAPTSMN1; SMN2TDP1
SCHEMBL186752 0.82 LMNA (0.51) ALDH1A1TSHRMAPTNPC1RAB9A

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-10590133-B2 Dimer impurities of Apixaban and method to remove them F.I.S.-FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2020-03-17 — — 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-10590133-B2 Dimer impurities of Apixaban and method to remove them F2, FGB, F8 RPS6KA3 2991/4885RPS6KA2 2447/4885PLK4 4532/4885

“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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