SCHEMBL324748

SCHEMBL324748

CC1=N[N]c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
PLIN1 O60240 1/20 0.32
NR1I2 O75469 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GSR P00390 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
HSPD1 P10809 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL30565769 0.74
SCHEMBL14455165 0.74 MAPK1 (0.44) SMN1; SMN2MAPK1MEN1ALDH1A1LMNA
SCHEMBL5602932 0.73 NPC1 (0.41) SMN1; SMN2ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL25297698 0.72 IDO1 (0.33) CYP1A2CYP2D6IDO1NPC1
SCHEMBL2072302 0.71 CDC25B (0.39) SMN1; SMN2MAPK1MEN1PLIN1NR1I2
SCHEMBL5602494 0.70 NPC1 (0.37) SMN1; SMN2MAPK1MEN1ALDH1A1LMNA
SCHEMBL7088058 0.70
SCHEMBL28719124 0.70 ALDH1A1 (0.32) MAPK1ALDH1A1
SCHEMBL482253 0.70 CYP1A2 (0.42) SMN1; SMN2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL1404502 0.70 MAPT (0.36) SMN1; SMN2MEN1ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345906-B1 2-ARYLAMINO PYRIDINE, PYRIDINE OR TRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF WUXI SHUANGLIANG BIOTECHNOLOGY CO LTD (CN) 2022-05-25 EP claimed
CN-113727982-A Azaaromatic cyclic amide derivatives for the treatment of cancer 深圳福沃药业有限公司 2021-11-30 CN claimed
EP-3288933-B1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MUSC FOUND FOR RES DEV (US) 2021-10-06 EP claimed
CN-111747950-A Pyrimidine derivatives for the treatment of cancer 深圳福沃药业有限公司 2020-10-09 CN claimed
US-10377747-B2 2-arylamino pyridine, pyrimidine or triazine derivatives, preparation method and use thereof WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2019-08-13 US claimed
US-20180208585-A1 2-ARYLAMINO PYRIDINE, PYRIMIDINE OR TRIAZINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF WUXI SHUANGLIANG BIOTECHNOLOGY CO., LTD. (CN) 2018-07-26 US claimed
EP-3345906-A1 2-ARYLAMINO PYRIDINE, PYRIDINE OR TRIAZINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Wuxi Shuangliang Biotechnology Co., Ltd. (CN) 2018-07-11 EP claimed
US-20180134659-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2018-05-17 US claimed
EP-3288933-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Musc Foundation for Research Development (US) 2018-03-07 EP claimed
WO-2016176420-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2016-11-03 WO claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
EP-1735354-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION Exxonmobil Chemical Company Inc. (US) 2006-12-27 EP claimed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US claimed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO claimed
US-11970474-B2 Substituted benzodiazoles and use thereof in therapy THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2024-04-30 US disclosed
CN-112074511-B Substituted benzodiazoles and their use in therapy 托马斯·黑勒戴药物研究基金会 2024-04-26 CN disclosed
CN-111747950-B Pyrimidine derivatives for the treatment of cancer 深圳福沃药业有限公司 2024-01-23 CN disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 WO disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (4 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-20180208585-A1 2-ARYLAMINO PYRIDINE, PYRIMIDINE OR TRIAZINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF ERBB2, EGFR, ERBB3 SMN1; SMN2 4171/4885MAPK1 1446/4885MEN1 4741/4885
US-10377747-B2 2-arylamino pyridine, pyrimidine or triazine derivatives, preparation method and use thereof ERBB2, EGFR, ERBB3 SMN1; SMN2 4073/4885MAPK1 1643/4885MEN1 4741/4885
US-11970474-B2 Substituted benzodiazoles and use thereof in therapy XDH, CYP4X1, CYP11B2 SMN1; SMN2 1674/4885MAPK1 2175/4885MEN1 689/4885
US-20180134659-A1 OXINDOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF PARK7, OPRK1, COMT SMN1; SMN2 110/4885MAPK1 3471/4885MEN1 2672/4885

“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.