SCHEMBL14938925

SCHEMBL14938925

CC(C)(C)NC(=O)c1ncc2[nH]cnc2n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CDK2 P24941 2/20 0.38
▸ SYK P43405 7/20 0.38
▸ PAK1 Q13153 1/20 0.37
▸ CCNT1 O60563 1/20 0.36
▸ CDK1 P06493 1/20 0.36
▸ CCNB1 P14635 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CCNH P51946 1/20 0.36
▸ POLA1 P09884 1/20 0.34
▸ CTSA P10619 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34
▸ MAP3K6 O95382 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ JAK3 P52333 1/20 0.33
▸ HPGDS O60760 1/20 0.33

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
SCHEMBL28190667 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL7771676 0.78 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL30119558 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL788098 0.76 ALDH1A1 (0.52) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL1721311 0.74 ALDH1A1 (0.55) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL30556758 0.74 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL29599053 0.74 RXFP1 (0.51) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL4520172 0.74 ALDH1A1 (0.50) ALDH1A1KDM4ERXFP1CDK2PAK1
SCHEMBL14938789 0.74 DPP4 (0.49) SYKPOLA1
SCHEMBL29400266 0.74 KDM4E (0.46) ALDH1A1KDM4ERXFP1CDK2PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3020712-B1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES ARATANA THERAPEUTICS NV (BE) 2018-07-04 — — EP disclosed
CN-107722009-A Method for preparing cyclopropane derivative 阿拉塔纳医疗有限公司 2018-02-23 — — CN disclosed
CN-103930413-B Process for producing cyclopropane derivative 阿拉塔纳医疗有限公司 2017-11-03 — — CN disclosed
EP-3020712-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES Aratana Therapeutics NV (BE) 2016-05-18 — — EP disclosed
EP-2776414-B1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES ARATANA THERAPEUTICS NV (BE) 2016-03-16 — — EP disclosed
US-9040699-B2 Method for preparing cyclopropane derivatives ARATANA THERAPEUTICS NV (BE) 2015-05-26 — — US disclosed
US-20150051394-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES ARATANA THERAPEUTICS NV (BE) 2015-02-19 — — US disclosed
EP-2776414-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES Aratana Therapeutics NV (BE) 2014-09-17 — — EP disclosed
WO-2013068042-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES OKAPI SCIENCES NV (BE) 2013-05-16 — — 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-20150051394-A1 METHOD FOR PREPARING CYCLOPROPANE DERIVATIVES HTR6, P2RY6, HTR1D ALDH1A1 780/4885KDM4E 1788/4885RXFP1 815/4885

“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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