SCHEMBL2433129

SCHEMBL2433129

CCC(Cc1cccnc1)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RECQL P46063 1/20 0.50
▸ FDPS P14324 1/20 0.50
▸ NAPRT Q6XQN6 1/20 0.47
▸ TBXAS1 P24557 2/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ FPR1 P21462 1/20 0.43
▸ ANPEP P15144 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CHRNB2 P17787 1/20 0.42

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
SCHEMBL30660224 0.86 PKM (0.60) PKMKMT2AFDPSNAPRTTBXAS1
SCHEMBL2566762 0.86 PKM (0.60) PKMKMT2AFDPSNAPRTTBXAS1
SCHEMBL27413062 0.84 FDPS (0.50) PKMKMT2ARECQLFDPSNAPRT
Hydrochloric Acid SCHEMBL27503094 0.82 PKM (0.53) PKMKMT2ARECQLFDPSNAPRT
SCHEMBL27662520 0.82 PKM (0.44) PKMKMT2ARECQLFDPSNAPRT
SCHEMBL27224541 0.82 KMT2A (0.56) PKMKMT2AFDPSNAPRTTBXAS1
SCHEMBL12066395 0.82 KMT2A (0.59) PKMKMT2ARECQLFDPSNAPRT
SCHEMBL7384333 0.82 CYP1A2 (0.62) PKMKMT2AFDPSNAPRTTBXAS1
SCHEMBL18230752 0.81 PKM (0.49) PKMKMT2ARECQLFDPSNAPRT
SCHEMBL933852 0.81 TBXAS1 (0.60) PKMKMT2ARECQLFDPSNAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104672241-B Pyrrolo- [2,3-d] pyrimidines and application thereof 王磊 2018-04-24 — — CN disclosed
CN-107108467-A cell necrosis inhibitor 北京生命科学研究所 2017-08-29 — — CN disclosed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 — — US disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 — — WO 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA PKM 105/4885KMT2A 140/4885RECQL 652/4885

“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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