SCHEMBL19663486

SCHEMBL19663486

Cn1cc(-c2ccc3c(c2)CCCC3)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.59
CYP11B2 P19099 2/20 0.50
CYP11B1 P15538 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PI4KA P42356 1/20 0.46
PIK3CG P48736 1/20 0.46
PI4KB Q9UBF8 1/20 0.46
CREBBP Q92793 4/20 0.45
PDK2 Q15119 1/20 0.44
PIKFYVE Q9Y2I7 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
ACVR1 Q04771 1/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
WNT1 P04628 1/20 0.42
GSK3B P49841 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
SCHEMBL23199303 0.97 KDM1A (0.59) KDM1ACYP11B2CYP11B1ALDH1A1LMNA
SCHEMBL17809587 0.82 CREBBP (0.50) KDM1ACYP11B2ALDH1A1PIK3CDPIK3CA
SCHEMBL26553745 0.80 WNT1 (0.58) KDM1AWNT1GSK3BDYRK1A
SCHEMBL25402885 0.80 WNT1 (0.58) KDM1AWNT1GSK3BDYRK1A
SCHEMBL17795410 0.80 CREBBP (0.54) KDM1ACYP11B2ALDH1A1PIK3CDPIK3CA
SCHEMBL30480850 0.80 WNT1 (0.58) KDM1AWNT1GSK3BDYRK1A
SCHEMBL17809604 0.80 KDM1A (0.50) KDM1ACYP11B2PIK3CDPIK3CAPIK3CB
SCHEMBL17680685 0.79 KDM1A (0.49) KDM1AALDH1A1LMNACREBBPPIKFYVE
SCHEMBL19644014 0.79 HSD17B1 (0.56) KDM1ACYP11B2CYP11B1CREBBPPIKFYVE
SCHEMBL17806327 0.77 KDM1A (0.48) KDM1ACREBBPPIKFYVEACVR1WNT1

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
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2023-10-12 US disclosed
WO-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 WO disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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 (4 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDM1A 307/4885CYP11B2 1605/4885CYP11B1 1468/4885
US-20230322724-A1 HETEROCYCLIC COMPOUNDS AS CBP/EP300 BROMODOMAIN INHIBITORS EP300, HDAC1, BRD3 KDM1A 210/4885CYP11B2 1806/4885CYP11B1 1540/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 KDM1A 307/4885CYP11B2 1605/4885CYP11B1 1468/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 KDM1A 345/4885CYP11B2 1261/4885CYP11B1 1195/4885

“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.