SCHEMBL16147347

SCHEMBL16147347

COc1cc2c(cc1OC)CN(Cc1cccc(-c3nc4ccccc4[nH]3)c1)C(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.44
PIM3 Q86V86 1/20 0.44
AURKB Q96GD4 1/20 0.44
KMT2A Q03164 2/20 0.43
AMY1A P0DUB6 3/20 0.41
KDM4E B2RXH2 6/20 0.40
NPC1 O15118 5/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 4/20 0.40
HPGD P15428 3/20 0.40
PKM P14618 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
SLC2A1 P11166 1/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL16147482 0.94 PIM1 (0.43) PIM1PIM3AURKBKMT2AKDM4E
SCHEMBL16148685 0.92 PIM1 (0.40) PIM1PIM3AURKBKMT2AAMY1A
SCHEMBL16148299 0.91 KMT2A (0.43) PIM1PIM3AURKBKMT2AAMY1A
SCHEMBL16147266 0.90 KMT2A (0.45) PIM1PIM3AURKBKMT2AAMY1A
SCHEMBL16148316 0.90 PIM1 (0.38) PIM1PIM3AURKBKMT2AAMY1A
SCHEMBL16147923 0.89 NPC1 (0.46) PIM1PIM3AURKBKMT2AKDM4E
SCHEMBL16148823 0.89 PIM1 (0.41) PIM1PIM3AURKBKMT2AAMY1A
SCHEMBL16148105 0.85 PIM1 (0.47) PIM1PIM3AURKBKMT2AKDM4E
SCHEMBL16147390 0.84 SMN1; SMN2 (0.50) PIM1PIM3AURKBKMT2AKDM4E
SCHEMBL16147236 0.83 PIM1 (0.42) PIM1PIM3AURKBKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-04-14 US disclosed
EP-3514147-A1 STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2019-07-24 EP disclosed
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US disclosed
EP-2991644-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2016-03-09 EP disclosed
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 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-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 PIM1 4627/4885PIM3 4601/4885AURKB 1624/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 PIM1 4627/4885PIM3 4601/4885AURKB 1624/4885

“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.