SCHEMBL6025899

SCHEMBL6025899

Cc1nc2c(Br)cccc2c(=O)o1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.70
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
PLK4 O00444 1/20 0.43
AURKA O14965 1/20 0.43
DAPK3 O43293 1/20 0.43
CDK1 P06493 1/20 0.43
PIM1 P11309 1/20 0.43
CDK2 P24941 1/20 0.43
SYK P43405 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK2A1 P68400 1/20 0.43
PRKAA1 Q13131 1/20 0.43
CAMK2B Q13554 1/20 0.43
CAMK2G Q13555 1/20 0.43
CAMK2D Q13557 1/20 0.43

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
SCHEMBL1095684 0.82 ELANE (1.00) ELANEKMT2AALDH1A1KDM4EMEN1
SCHEMBL4116511 0.79 ELANE (0.70) ELANEKMT2AALDH1A1KDM4EMEN1
SCHEMBL28924723 0.79 ELANE (0.70) ELANEKMT2AALDH1A1KDM4EMEN1
SCHEMBL16296659 0.78 ELANE (0.68) ELANEKMT2AALDH1A1KDM4EMEN1
SCHEMBL13206697 0.77 ELANE (0.66) ELANEKMT2AALDH1A1KDM4EMEN1
SCHEMBL20463303 0.77 ELANE (0.66) ELANEKMT2AALDH1A1KDM4EMEN1
SCHEMBL1096064 0.77 ELANE (0.66) ELANEKMT2AALDH1A1KDM4EMEN1
SCHEMBL12758388 0.76 RAB9A (0.65) ELANEKMT2AALDH1A1KDM4EMEN1
SCHEMBL20423396 0.76 ELANE (0.64) ELANEKMT2AALDH1A1KDM4EMEN1
SCHEMBL15519337 0.76 ELANE (0.68) ELANEKMT2AC1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3452480-A1 SUBSTITUTED PYRROLO[1,2- ]TRIAZINES AND RELATED COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Lysosomal Therapeutics Inc. (US) 2019-03-13 EP disclosed
EP-2708540-B1 PYRIMIDO-DIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-07-25 EP disclosed
WO-2017192929-A1 SUBSTITUTED PYRROLO[1,2-α]TRIAZINES AND RELATED COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2017-11-09 WO disclosed
US-9453021-B2 Pyrimidodiazepinone compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-09-27 US disclosed
US-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-06-19 US disclosed
EP-2708540-A1 PYRIMIDO-DIAZEPINONE COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2014-03-19 EP disclosed
US-20090036357-A1 Azapeptide derivatives CONCERT PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed
EP-0966442-B1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY DUPHAR INT RES (NL) 2006-12-20 EP disclosed
US-6350750-B1 TREATMENT OF STRESS-RELATED DISORDERS; ARYLATION WITH BORONIC ACID DERIVATIVE, AMINATION DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2002-02-26 US disclosed
EP-0966442-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1999-12-29 EP disclosed
WO-1999012908-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1999-03-18 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-20140171422-A1 PYRIMIDODIAZEPINONE COMPOUND REN, AGTR1, KCNJ1 ELANE 3991/4885KMT2A 1479/4885ALDH1A1 629/4885
US-20090036357-A1 Azapeptide derivatives SAMHD1, ENTPD5, DNPEP ELANE 204/4885KMT2A 1298/4885ALDH1A1 3218/4885

“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.