SCHEMBL16636645

SCHEMBL16636645

N#Cc1cc(N)c2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
XDH P47989 2/20 0.45
SLC22A12 Q96S37 1/20 0.45
IKBKB O14920 2/20 0.43
CHUK O15111 2/20 0.43
RIPK1 Q13546 1/20 0.41
GFER P55789 1/20 0.37
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 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
SCHEMBL988243 0.78 IMPDH2 (0.50) IMPDH2IMPDH1XDHSLC22A12IKBKB
SCHEMBL3707241 0.78 IMPDH2 (0.50) IMPDH2IMPDH1XDHSLC22A12IKBKB
SCHEMBL8530077 0.78 IMPDH2 (0.50) IMPDH2IMPDH1XDHSLC22A12IKBKB
SCHEMBL16815127 0.74 IKBKB (0.35) IKBKBCHUKRIPK1GFERBRD4
SCHEMBL12585067 0.73 XDH (0.64) IMPDH2IMPDH1XDHSLC22A12IKBKB
SCHEMBL28597933 0.73 XDH (0.50) IMPDH2IMPDH1XDHSLC22A12IKBKB
SCHEMBL15388774 0.72 AHR (0.47) IKBKBCHUKRIPK1GFERALDH1A1
SCHEMBL21920740 0.71 IMPDH2 (0.44) IMPDH2IMPDH1XDHSLC22A12IKBKB
SCHEMBL28600170 0.71 AHR (0.45) IKBKBCHUKRIPK1ALDH1A1CHEK1
SCHEMBL15934119 0.71 TDP1 (0.38) IKBKBCHUKKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250197866-A1 Treatment Of Liver Disease With Mitochondrial Glycerol-3-Phosphate Acyltransferase (GPAM) Inhibitors REGENERON PHARMACEUTICALS, INC. 2025-06-19 US claimed
US-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof GENENTECH, INC. (US) 2025-01-28 US disclosed
CN-118359634-A Pyrazole derivative and medical use thereof 正大天晴药业集团股份有限公司 2024-07-19 CN disclosed
EP-4297772-A1 TREATMENT OF LIVER DISEASE WITH MITOCHONDRIAL GLYCEROL-3-PHOSPHATE ACYLTRANSFERASE (GPAM) INHIBITORS Regeneron Pharmaceuticals, Inc. (US) 2024-01-03 EP disclosed
CN-116867510-A Treatment of liver disease with mitochondrial glycerol-3-phosphate acyltransferase (GPAM) inhibitors 雷杰纳荣制药公司 2023-10-10 CN disclosed
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-11-24 US disclosed
CN-113015526-A Spirocyclic 2, 3-dihydro-7-azaindole compounds and uses thereof 豪夫迈·罗氏有限公司 2021-06-22 CN disclosed
EP-3054955-B1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-30 EP disclosed
US-9737542-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
CN-105979950-A Pyrrolotriazine kinase inhibitors 百时美施贵宝公司 2016-09-28 CN disclosed
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-08-25 US disclosed
EP-3054955-A1 PYRROLOTRIAZINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-08-17 EP disclosed
WO-2015054358-A1 PYRROLOTRIAZINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-16 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 (3 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-12208088-B2 Spirocyclic 2,3-dihydro-7-azaindole compounds and uses thereof HIPK1, NEK1, HIPK2 IMPDH2 846/4885IMPDH1 694/4885XDH 2184/4885
US-20220370420-A1 SPIROCYCLIC 2,3-DIHYDRO-7-AZAINDOLE COMPOUNDS AND USES THEREOF HIPK1, NEK1, HIPK2 IMPDH2 846/4885IMPDH1 694/4885XDH 2184/4885
US-20160243125-A1 PYRROLOTRIAZINE KINASE INHIBITORS AAK1, DAPK2, DAPK1 IMPDH2 2951/4885IMPDH1 2948/4885XDH 4382/4885

“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.