SCHEMBL20125054

SCHEMBL20125054

Cc1cc2cc(C#N)cnc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
VCP P55072 1/20 0.43
HPGDS O60760 2/20 0.41
GRM5 P41594 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
MAP4K1 Q92918 1/20 0.36
RIPK1 Q13546 1/20 0.36
PIK3CG P48736 1/20 0.35
IDH1 O75874 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G2 P78368 1/20 0.34
KDR P35968 2/20 0.34
CDK1 P06493 1/20 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
SCHEMBL15829464 0.81 HPGDS (0.38) VCPHPGDSKDM4EALDH1A1L3MBTL1
SCHEMBL28227220 0.79 HPGDS (0.37) VCPHPGDSGRM5KDM4EALDH1A1
SCHEMBL15847133 0.76 ABL1 (0.38) VCPHPGDS
SCHEMBL7921126 0.75 BRD4 (0.50) BRD4KDM4EMAP4K1PIK3CGKDR
SCHEMBL1661294 0.75 HPGDS (0.35) HPGDSKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL29626963 0.74 HPGDS (0.36) VCPHPGDSKDM4EALDH1A1L3MBTL1
SCHEMBL15846949 0.73 ABL1 (0.49)
SCHEMBL1683399 0.73 BRD4 (0.49) BRD4MAP4K1RIPK1PIK3CGKDR
SCHEMBL2060024 0.72 CYP19A1 (0.57) BRD4KDM4ERIPK1PIK3CGGSK3B
SCHEMBL2038921 0.72 BRD4 (0.47) BRD4GRM5KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112823157-B Spirochroman derivatives 吉瑞工厂 2024-08-09 CN disclosed
EP-3820869-B1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT (HU) 2023-08-30 EP disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 US disclosed
US-20210330650-A1 SPIROCHROMANE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2021-10-28 US disclosed
CN-112823157-A Spirochroman derivatives 吉瑞工厂 2021-05-18 CN disclosed
US-20210032207-A1 QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-02-04 US disclosed
EP-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP 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 (2 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-20210330650-A1 SPIROCHROMANE DERIVATIVES CHRNA7, CHRM3, ADRB3 BRD4 1723/4885VCP 3227/4885HPGDS 2971/4885
US-20210032207-A1 QUINOLONE COMPOUND HAX1, NQO2, CXCR1 BRD4 657/4885VCP 4436/4885HPGDS 1025/4885

“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.