SCHEMBL9600748

SCHEMBL9600748

O=C(NCCCl)Nc1ccnc(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 9/20 0.63
SMARCA4 P51532 8/20 0.63
EGFR P00533 3/20 0.46
ERBB2 P04626 3/20 0.46
PIK3CA P42336 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
CNR1 P21554 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 1/20 0.43
S1PR2 O95136 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 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
SCHEMBL10502486 0.87 SMARCA2 (0.62) SMARCA2SMARCA4PIK3CAMAPK8MAPK9
SCHEMBL9599510 0.84 SMARCA2 (0.59) SMARCA2SMARCA4ALDH1A1HTT
SCHEMBL9599834 0.84 SMARCA2 (0.86) SMARCA2SMARCA4ALDH1A1CNR1MEN1
SCHEMBL3322673 0.83 SMARCA2 (0.66) SMARCA2SMARCA4PIK3CAMAPK8MAPK9
SCHEMBL31718481 0.81 SMARCA2 (0.61) SMARCA2SMARCA4ALDH1A1MEN1KMT2A
SCHEMBL3324675 0.79 SMARCA2 (0.64) SMARCA2SMARCA4
SCHEMBL10560427 0.79 SMARCA2 (0.61) SMARCA2SMARCA4PIK3CAMAPK8MAPK9
SCHEMBL2958982 0.79 MDM2 (0.62) SMARCA2SMARCA4MEN1KMT2AKDM4E
SCHEMBL22125200 0.78 SMARCA2 (1.00) SMARCA2SMARCA4MEN1KMT2AMAPT
SCHEMBL22125520 0.78 SMARCA2 (0.76) SMARCA2SMARCA4CNR1MEN1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
EP-2702052-A1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2014-03-05 EP disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
EP-0243450-B1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES FMC Corporation (US) 1993-04-28 EP disclosed
EP-0243450-A4 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES. FMC CORP (US) 1989-09-11 EP disclosed
US-4818271-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1989-04-04 US disclosed
EP-0243450-A1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES. FMC CORP (US) 1987-11-04 EP disclosed
WO-1987002665-A1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES FMC CORPORATION (US) 1987-05-07 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 (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-20150209356-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 SMARCA2 3948/4885SMARCA4 3706/4885EGFR 1674/4885
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 SMARCA2 3948/4885SMARCA4 3706/4885EGFR 1674/4885

“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.