Sugi Predict

Sugi Predict / Compounds / SCHEMBL14907202

SCHEMBL14907202

SCHEMBL14907202

Cc1nccc(C(=O)N(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 2/20 0.42
▸ KDM4A O75164 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP3A4 P08684 4/20 0.35
▸ CYP1A2 P05177 3/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ MTOR P42345 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ DBF4 Q9UBU7 1/20 0.34
▸ USP2 O75604 2/20 0.34
▸ MAPT P10636 2/20 0.34

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
SCHEMBL26987029 0.82 KDM4A (0.44) KDM4AALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL31347597 0.82 KDM4A (0.44) KDM4AALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL29793641 0.82 CLK1 (0.36) PIK3C3ALDH1A1KDM4ECYP3A4MEN1
SCHEMBL17660518 0.82 CLK1 (0.36) PIK3C3ALDH1A1KDM4ECYP3A4MEN1
SCHEMBL18824618 0.79 ALDH1A1 (0.39) PIK3C3KDM4AALDH1A1KDM4ECYP3A4
SCHEMBL1578942 0.78 KDM4E (0.53) KDM4AALDH1A1KDM4EALOX15MEN1
SCHEMBL882664 0.78 ALDH1A1 (0.47) PIK3C3ALDH1A1KDM4EALOX15MAPT
SCHEMBL24350428 0.77 SORT1 (0.38) PIK3C3ALDH1A1KDM4EMAPK1MAPT
SCHEMBL12344474 0.77 HCRTR1 (0.37) KDM4AALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL12341063 0.77 ALDH1A1 (0.38) KDM4AALDH1A1KDM4ECYP3A4CYP1A2

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
WO-2020224656-A1 BISHETEROCYCLIC CARBONYL SUBSTITUTED DIHYDROPYRAZOLE COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 劲方医药科技(上海)有限公司 2020-11-12 — — WO disclosed
US-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 — — US disclosed
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2015-07-09 — — US disclosed
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2014-01-16 — — US disclosed
US-8580828-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-11-12 — — US disclosed
US-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-05-02 — — 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 (3 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-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 PIK3C3 1345/4885KDM4A 718/4885ALDH1A1 2827/4885
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 PIK3C3 1396/4885KDM4A 928/4885ALDH1A1 2392/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 PIK3C3 1396/4885KDM4A 928/4885ALDH1A1 2392/4885

“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.