SCHEMBL6540662

SCHEMBL6540662

CC1Nc2cc(Br)ccc2NC1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.59
CREBBP Q92793 1/20 0.59
BRD4 O60885 2/20 0.44
TP53 P04637 4/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
CMA1 P23946 1/20 0.43
AHR P35869 1/20 0.43
NQO2 P16083 1/20 0.43
GSK3B P49841 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
TGM2 P21980 1/20 0.41
CES1 P23141 1/20 0.41

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
SCHEMBL15823711 1.00 BRPF1 (0.59) BRPF1CREBBPBRD4TP53MAPT
SCHEMBL16053338 0.93 BRPF1 (0.59) BRPF1CREBBPBRD4TP53MAPT
SCHEMBL7170205 0.79 BRPF1 (0.59) BRPF1CREBBPBRD4POLBCMA1
SCHEMBL4863718 0.79 BRPF1 (0.59) BRPF1CREBBPBRD4MAPTGSK3B
SCHEMBL7171052 0.79 BRPF1 (0.59) BRPF1CREBBPBRD4POLBCMA1
SCHEMBL7175133 0.79 BRPF1 (0.59) BRPF1CREBBPBRD4POLBCMA1
SCHEMBL16120451 0.79 BRPF1 (0.59) BRPF1CREBBPBRD4MAPTGSK3B
SCHEMBL4860943 0.78 TP53 (0.44) BRD4TP53MAPTPOLBGABRA1
SCHEMBL28821831 0.78 TP53 (0.44) BRD4TP53MAPTPOLBGABRA1
SCHEMBL28821832 0.78 TP53 (0.44) BRD4TP53MAPTPOLBGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105198871-A Quinoxalinone compounds as well as preparation methods and applications of quinoxalinone compounds UNIV CHINA PHARMA 2015-12-30 CN disclosed
WO-2014139983-A1 [1,2,4]TRIAZOLO[4,3-A]QUINOXALINES AS DUAL PDE2/PDE10 INHIBITORS H. LUNDBECK A/S (DK) 2014-09-18 WO disclosed
WO-2013034755-A1 TRIAZOLOPYRAZINE DERIVATIVES AND THEIR USE FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS H. LUNDBECK A/S (DK) 2013-03-14 WO disclosed
US-6794373-B2 ADMINISTERING TO A FEMALE OF CHILD BEARING AGE OVER A PERIOD OF 28 CONSECUTIVE DAYS A FIRST PHASE OF FROM 18 TO 21 DAILY DOSAGE UNITS OF A PROGESTATIONAL AGENT, AND A SECOND PHASE OF FROM 1 TO 7 DAILY DOSAGE UNITS OF AN ANTIPROGESTIN AGENT WYETH 2004-09-21 US disclosed
US-20020151531-A1 Contraceptive methods using benzimidazolones LIGAND PHARMACEUTICALS INCORPORATED 2002-10-17 US disclosed
US-20020115853-A1 Benzimidazolones and analogues WYETH 2002-08-22 US disclosed
US-6423699-B1 CONTRACEPTIVES AMERICAN HOME PRODUCTS CORPORATION 2002-07-23 US disclosed
US-6380235-B1 USEFUL AS PROGESTERONE RECEPTOR AGONISTS AND ANTAGONISTS, USED FOR CONTRACEPTION, IN THERAPY OF FIBROIDS, ENDOMETRIOSIS, BREAST, UTERINE, OVARIAN AND PROSTATE CANCER, AND POST MENOPAUSAL HORMONE REPLACEMENT THERAPY AMERICAN HOME PRODUCTS CORPORATION 2002-04-30 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 (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-20020151531-A1 Contraceptive methods using benzimidazolones PGR, GNRHR, NR4A1 BRPF1 569/4885CREBBP 2696/4885BRD4 114/4885
US-20020115853-A1 Benzimidazolones and analogues PGR, NR5A1, NR3C2 BRPF1 759/4885CREBBP 2373/4885BRD4 368/4885

“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.