Sugi Predict

Sugi Predict / Compounds / SCHEMBL10276087

SCHEMBL10276087

SCHEMBL10276087

Cc1nn2c(=O)cc(-c3ccc(C#N)cc3)nc2cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 2/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ PSD A5PKW4 1/20 0.42
▸ MAPT P10636 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ KIT P10721 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ CYP11B2 P19099 1/20 0.37
▸ TP53 P04637 3/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 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
SCHEMBL10275924 0.91 RAD51 (0.50) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10313497 0.88 KDM4E (0.49) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10313513 0.88 RAD51 (0.50) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10313596 0.87 KDM4E (0.47) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10276212 0.83 SLC22A12 (0.43) MAPTNPC1RAB9ASMN1; SMN2XDH
SCHEMBL10275588 0.82 RAD51 (0.42) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10275338 0.80 AR (0.43) RAD51PSDMAPTNPC1RAB9A
SCHEMBL10276300 0.79 RAD51 (0.43) RAD51MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10276110 0.78 DPP4 (0.45) PSDMAPTNPC1RAB9ATP53
SCHEMBL10275798 0.78 TOP1 (0.40) RAD51MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103554111-A Aromatic heterocyclic pyridine derivatives and analogs, and preparation method and application thereof LIAONING LIFENG SCIENCE AND TECHNOLOGY DEV CO LTD 2014-02-05 — — CN claimed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 — — US claimed
CN-103554111-A Aromatic heterocyclic pyridine derivatives and analogs, and preparation method and application thereof LIAONING LIFENG SCIENCE AND TECHNOLOGY DEV CO LTD 2014-02-05 — — CN disclosed
CN-101671336-B Aromatic heterocyclic pyrimidine derivative and analogue, preparation method and application thereof LIAONING LIFENG SCIENCE AND TECHNOLOGY DEV CO LTD 2013-11-13 — — CN disclosed
US-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF XU LIFENG (US) 2012-07-12 — — US disclosed
WO-2011035518-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF 辽宁利锋科技开发有限公司 (CN) 2011-03-31 — — 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-20120178915-A1 PYRIMIDINE DERIVATIVES AND ANALOGS, PREPARATION METHOD AND USE THEREOF TYMP, TYMS, ADORA3 RAD51 1465/4885KIF11 4069/4885PSD 591/4885

“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.