SCHEMBL3778298

SCHEMBL3778298

N#Cc1cccc2[nH]cc(Br)c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
DYRK1A Q13627 3/20 0.46
SLC6A4 P31645 2/20 0.45
MAP2K1 Q02750 1/20 0.45
CYP2A6 P11509 1/20 0.42
MCL1 Q07820 1/20 0.36
NR3C2 P08235 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CLK1 P49759 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
AHR P35869 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
SCHEMBL2302684 0.85 DYRK1A (0.54) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1
SCHEMBL14722641 0.78 IMPDH2 (0.47) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1
SCHEMBL12361360 0.78 SLC6A4 (0.48) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1
SCHEMBL31663297 0.78 SLC6A4 (0.48) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1
SCHEMBL5256007 0.76 DYRK1A (0.49) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1
SCHEMBL28973447 0.76 CYP2A6 (0.60) SLC6A4CYP2A6CLK1CDK5CDK5R1
SCHEMBL24328229 0.74 SLC6A4 (0.45) IMPDH2IMPDH1DYRK1ASLC6A4MAP2K1
SCHEMBL11761255 0.74 CYP2A6 (0.58) IMPDH2IMPDH1SLC6A4MAP2K1CYP2A6
SCHEMBL29953438 0.74 CYP2A6 (0.58) IMPDH2IMPDH1SLC6A4MAP2K1CYP2A6
SCHEMBL2430350 0.71 AR (0.37) IMPDH2IMPDH1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805664-B Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2023-04-14 CN claimed
CN-114805664-A Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-29 CN claimed
CN-114292582-B Hyperbranched coating suitable for marine concrete, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-07-12 CN claimed
CN-114292582-A Hyperbranched coating suitable for marine concrete, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2022-04-08 CN claimed
EP-4536668-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS Bristol-Myers Squibb Company (US) 2025-04-16 EP disclosed
CN-119630676-A Pyrido [4,3-D ] pyrimidine derivatives as KRAS inhibitors 百时美施贵宝公司 2025-03-14 CN disclosed
US-20240067662-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-02-29 US disclosed
US-20240067662-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-02-29 US disclosed
US-20240067662-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-02-29 US disclosed
WO-2023240188-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-12-14 WO disclosed
WO-2023240188-A1 PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-12-14 WO disclosed
CN-114805664-B Bionic modified marine antifouling resin material, and preparation method and application thereof 江苏苏博特新材料股份有限公司 2023-04-14 CN disclosed
WO-2022061251-A1 COMPOUNDS AND METHODS FOR KRAS MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2022-03-24 WO disclosed
US-RE45173-E1 Inhibitors of CYP 17 NOVARTIS AG (CH) 2014-09-30 US disclosed
US-20140228394-A1 INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-08-14 US disclosed
CN-102803250-B 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2014-04-16 CN disclosed
EP-2445903-B1 1,3-DISUBSTITUTED IMIDAZOLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF CYP 17 NOVARTIS AG (CH) 2014-03-26 EP disclosed
CN-102803250-A 1, 3-disubstituted imidazolidin-2-one derivatives as inhibitors of CYP17 NOVARTIS AG 2012-11-28 CN disclosed
US-8263635-B2 Inhibitors of CYP 17 NOVARTIS AG (CH) 2012-09-11 US disclosed
US-20100331326-A1 Inhibitors of CYP 17 NOVARTIS AG 2010-12-30 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 (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-20100331326-A1 Inhibitors of CYP 17 CYP17A1, CYP21A2, CYP4A22 IMPDH2 288/4885IMPDH1 228/4885DYRK1A 3893/4885
US-20140228394-A1 INHIBITORS OF CYP 17 CYP17A1, CYP21A2, CYP4A22 IMPDH2 288/4885IMPDH1 228/4885DYRK1A 3893/4885
US-20240067662-A1 KRAS INHIBITORS KRAS, NRAS, HRAS IMPDH2 3239/4885IMPDH1 3174/4885DYRK1A 1588/4885

“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.