SCHEMBL7338366

SCHEMBL7338366

Cc1nnc2n1-c1ccccc1NCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 1.00
CYP11B2 P19099 6/20 0.41
CYP11B1 P15538 3/20 0.38
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
GABRA1 P14867 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA2 P47869 3/20 0.35
GABRB2 P47870 3/20 0.35
GABRA3 P34903 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CNR1 P21554 1/20 0.35
OPRK1 P41145 1/20 0.35
PTAFR P25105 1/20 0.35
BRPF1 P55201 1/20 0.35

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
SCHEMBL8311751 0.84 BRD4 (0.72) BRD4CYP11B2MEN1GAAKMT2A
SCHEMBL13729858 0.82 BRD4 (0.69) BRD4CYP11B2CYP11B1MEN1GAA
SCHEMBL316222 0.82 BRD4 (0.69) BRD4CYP11B2CYP11B1HPGD
SCHEMBL13729796 0.80 BRD4 (0.66) BRD4CYP11B2CYP11B1GABRA1GABRA5
SCHEMBL13731308 0.77 BRD4 (0.62) BRD4CYP11B2CYP11B1PTAFR
SCHEMBL13730257 0.74 BRD4 (0.58) BRD4GAAGABRA1GABRA5GABRA2
SCHEMBL314419 0.74 BRD4 (0.57) BRD4CYP11B2CYP11B1HPGD
SCHEMBL314704 0.74 BRD4 (0.57) BRD4CYP11B2CYP11B1HPGD
SCHEMBL11779444 0.73 TSHR (0.59) BRD4CYP11B2CYP11B1
SCHEMBL13730149 0.73 BRD4 (0.57) BRD4GABRA1GABRA5GABRA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705039-B1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed
EP-2705039-B1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2017-07-26 EP disclosed
US-9422292-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
US-9422292-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
US-9422292-B2 Bromodomain inhibitors and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-23 US disclosed
US-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
US-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-05-15 US disclosed
EP-2705039-A2 BROMODOMAIN INHIBITORS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-03-12 EP disclosed
WO-2012151512-A2 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
WO-2012151512-A2 BROMODOMAIN INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2012-11-08 WO disclosed
US-5968930-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
US-5968937-A FOR TREATMENT AND/OR PREVENTION OF HYPERTENSION, CARDIAC INSUFFICIENCY, CORONARY VASOSPASM, CARDIAC ISCHEMIA, RENAL VASOSPASM, LIVER CIRRHOSIS, CONGESTIVE HEART FAILURE, NEPHROTIC SYNDROME, BRAIN EDEMA, CEREBRAL ISCHEMIA AMERICAN CYANAMID COMPANY (US) 1999-10-19 US disclosed
EP-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed
US-5624923-A UROGENITAL AND CARDIOVASCULAR DISORDERS AMERICAN CYANAMID COMPANY (US) 1997-04-29 US disclosed
US-5516774-A TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
EP-0636625-A2 Tricyclic diazepine vasopressin antagonists and oxytocin antagonists AMERICAN CYANAMID COMPANY (US) 1995-02-01 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 (1 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-20140135316-A1 BROMODOMAIN INHIBITORS AND USES THEREOF BRD4, BRPF3, BRDT BRD4 1/4885CYP11B2 2695/4885CYP11B1 2624/4885

“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.