SCHEMBL2040558

SCHEMBL2040558

CC#Cc1cc(Br)cnc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
HTT P42858 3/20 0.50
NPC1 O15118 1/20 0.39
DYRK1A Q13627 2/20 0.37
IDO1 P14902 1/20 0.37
MEN1 O00255 4/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 1/20 0.35
BLM P54132 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33

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
SCHEMBL2637090 0.81 KMT2A (0.47) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL18430532 0.80 KMT2A (0.46) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL18053335 0.78 NOS3 (0.52) NPC1MAP4K4ALDH1A1PLAUNOS3
SCHEMBL10310875 0.78 SMN1; SMN2 (0.34) KMT2AHTTNPC1MAPTSMN1; SMN2
SCHEMBL17203338 0.78 KMT2A (0.43) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL17203284 0.78 KMT2A (0.43) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL1204465 0.78 KMT2A (0.43) KMT2AHTTNPC1DYRK1AIDO1
SCHEMBL2034977 0.77 CSF1R (0.40) HTTIDO1MAP4K4ABL1CSF1R
SCHEMBL2039210 0.77 NOS3 (0.32) NPC1MAPTRAB9ANOS3NOS1
SCHEMBL17034515 0.77 KMT2A (0.46) KMT2AHTTNPC1DYRK1AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11944606-B2 Azaindoles as inhibitors of HPK1 GENENTECH, INC. (US) 2024-04-02 US disclosed
EP-3596075-B1 AZAINDOLES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-10-11 EP disclosed
EP-3596075-B1 AZAINDOLES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-10-11 EP disclosed
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed
CN-110402248-B Azaindoles as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-06 CN disclosed
US-20210299110-A1 AZAINDOLES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-09-30 US disclosed
US-20210299110-A1 AZAINDOLES AS INHIBITORS OF HPK1 GENENTECH, INC. (US) 2021-09-30 US disclosed
US-10952995-B2 Azaindoles as inhibitors of HPK1 GENENTECH, INC. (US) 2021-03-23 US disclosed
US-10952995-B2 Azaindoles as inhibitors of HPK1 GENENTECH, INC. (US) 2021-03-23 US disclosed
WO-2020012424-A1 SUBSTITUTED (AZA)INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2020-01-16 WO disclosed
US-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-08-27 US disclosed
US-9096584-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-04 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
EP-2513110-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 US disclosed
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 US disclosed
WO-2011073263-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 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 (7 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-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 KMT2A 1879/4885HTT 2450/4885NPC1 4041/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B KMT2A 2280/4885HTT 4734/4885NPC1 2505/4885
US-10952995-B2 Azaindoles as inhibitors of HPK1 HIPK1, HIPK2, PPIP5K2 KMT2A 1022/4885HTT 2327/4885NPC1 1720/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B KMT2A 2280/4885HTT 4734/4885NPC1 2505/4885
US-11944606-B2 Azaindoles as inhibitors of HPK1 HIPK1, HIPK2, PPIP5K2 KMT2A 1022/4885HTT 2327/4885NPC1 1720/4885
US-20210299110-A1 AZAINDOLES AS INHIBITORS OF HPK1 HIPK1, HIPK2, PPIP5K2 KMT2A 1022/4885HTT 2327/4885NPC1 1720/4885
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 KMT2A 1879/4885HTT 2450/4885NPC1 4041/4885

“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.