SCHEMBL445800

SCHEMBL445800

COc1ccc(-c2nc[nH]n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.57
XDH P47989 1/20 0.53
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TP53 P04637 1/20 0.50
ADORA3 P0DMS8 2/20 0.47
NPC1 O15118 3/20 0.45
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DYRK1A Q13627 2/20 0.43
LMNA P02545 1/20 0.43
ADORA1 P30542 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
SCHEMBL2095562 0.80 ALDH1A1 (0.35) CLK4XDHTP53ADORA3
SCHEMBL12130262 0.80 CYP1A1 (0.49) CLK4MAPTKDM4ENPC1RAB9A
SCHEMBL1230218 0.79 METAP2 (0.44) MAPTADORA3NPC1RAB9AMEN1
SCHEMBL8268311 0.79 PRKAG1 (0.49) CLK4MAPK1MEN1KMT2ADYRK1A
SCHEMBL7527075 0.78 CLK4 (0.64) CLK4XDHTP53NPC1MAPK1
SCHEMBL444271 0.75 RPA1 (0.48) MAPTADORA3NPC1RAB9AMEN1
SCHEMBL1653225 0.75 SMN1; SMN2 (0.39) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1395370 0.75 MEN1 (0.50) MAPTTP53NPC1RAB9AMEN1
SCHEMBL2968301 0.75 ATM (0.48) MAPTTP53NPC1MAPK1RAB9A
SCHEMBL1825663 0.75 NPC1 (0.48) MAPTKDM4ETP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-07-17 US claimed
EP-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP claimed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO claimed
US-12366579-B2 Sulfur-heterocycle exchange chemistry and uses thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2025-07-22 US disclosed
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2025-07-17 US disclosed
CN-113194721-B Pesticidal compositions and methods 科迪华农业科技有限责任公司 2024-03-01 CN disclosed
US-20220214355-A1 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-07-07 US disclosed
US-11297838-B2 Pesticidal compositions and methods CORTEVA AGRISCIENCE LLC (US) 2022-04-12 US disclosed
US-11297838-B2 Pesticidal compositions and methods CORTEVA AGRISCIENCE LLC (US) 2022-04-12 US disclosed
CN-113853372-A Thio-heterocyclic exchange chemistry and uses thereof 弗吉尼亚大学专利基金委员会 2021-12-28 CN disclosed
EP-3924348-A2 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF University of Virginia Patent Foundation (US) 2021-12-22 EP disclosed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
EP-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed
EP-0134946-A1 3,6-Disubstituted-triazolo[3,4-a]phthalazine derivatives GRUPPO LEPETIT S.p.A. (IT) 1985-03-27 EP 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-11297838-B2 Pesticidal compositions and methods ACHE, DDT, PLA2G2D CLK4 4799/4885XDH 2834/4885MAPT 3752/4885
US-20220214355-A1 SULFUR-HETEROCYCLE EXCHANGE CHEMISTRY AND USES THEREOF TST, TPST2, SRMS CLK4 1554/4885XDH 997/4885MAPT 4048/4885
US-20250228242-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL APP, APBA1, PRNP CLK4 3707/4885XDH 2339/4885MAPT 8/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 CLK4 3338/4885XDH 467/4885MAPT 590/4885
US-12366579-B2 Sulfur-heterocycle exchange chemistry and uses thereof TST, TPST2, SRMS CLK4 1554/4885XDH 997/4885MAPT 4048/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 CLK4 4177/4885XDH 158/4885MAPT 4020/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 CLK4 3767/4885XDH 102/4885MAPT 3608/4885

“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.