SCHEMBL4447451

SCHEMBL4447451

N=C(N)Nn1cnc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA3 P07451 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
CA13 Q8N1Q1 2/20 0.45
CA14 Q9ULX7 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42

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
Pyridine SCHEMBL22610188 0.91 ALOX15 (0.48) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL28721775 0.83 ALOX15 (0.43) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL11025532 0.83 ALOX15 (0.51) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL707209 0.83 ALOX15 (0.58) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL4384670 0.77 HSD17B10 (0.56) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL204727 0.77 ALOX15 (0.64) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL6954737 0.76 ALOX15 (0.58) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL1800353 0.76 TDP1 (0.48) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL15022038 0.75 TDP1 (0.52) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6
SCHEMBL1685055 0.75 HSD17B10 (0.61) ALOX15HSD17B10CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538169-B2 Ion conductive film and fuel cell using the same KABUSHIKI KAISHA TOSHIBA (JP) 2009-05-26 US claimed
EP-1275121-B1 CORROSION-PROTECTED COAXIAL CABLE AND METHOD OF MAKING SAME COMMSCOPE INC (US) 2008-03-12 EP claimed
US-12268680-B2 Compositions and methods for treating cancer CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2025-04-08 US disclosed
US-20240335449-A1 COMBINATION THERAPY FOR VAV3 CANCER CHILDREN'S HOSPITAL MEDICAL CENTER 2024-10-10 US disclosed
EP-4384170-A1 COMBINATION THERAPY WITH AN IODVA1 COMPOUND FOR THE TREATMENT OF VAV3 CANCER Children's Hospital Medical Center (US) 2024-06-19 EP disclosed
US-20230129271-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER CHILDREN'S HOSPITAL MEDICAL CENTER 2023-04-27 US disclosed
WO-2023018688-A1 COMBINATION THERAPY WITH AN IODVA1 COMPOUND FOR THE TREATMENT OF VAV3 CANCER CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-02-16 WO disclosed
US-11564913-B2 Compositions and methods for treating cancer CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2023-01-31 US disclosed
CN-114858947-A Detection method of alpha-dicarbonyl compound and application thereof 湖南师范大学 2022-08-05 CN disclosed
EP-3962896-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER Children's Hospital Medical Center (US) 2022-03-09 EP disclosed
CN-114072385-A Compositions and methods for treating cancer 儿童医院医学中心 2022-02-18 CN disclosed
WO-1994020304-A1 IMPROVED INK-RECEPTIVE SHEET MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-09-15 WO disclosed
US-5342688-A Contains at least one polymeric mordant with a guanidine functionality MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-08-30 US disclosed
EP-0310808-A1 Curable compositions and corrosion resistant coatings prepared therefrom AMERICAN CYANAMID COMPANY (US) 1989-04-12 EP disclosed
US-4778728-A AMINE-REACTIVE POLYMER OF (METH)ACRYLAMAIDOGLYCOLATE, POLYFUNCTIONAL AMINE CROSSLINKER, BENZOTRIAZOLE OR A DIPYRIDYL AMERICAN CYANAMID COMPANY (US) 1988-10-18 US disclosed
EP-0152091-A2 Method for improving the selective inhibition of the activity of human pancreatic and salivary amylase and an inhibitor preparation therefore GÖDECKE AKTIENGESELLSCHAFT (DE) 1985-08-21 EP disclosed
US-4159898-A Alkyl-guanidino-heterocyclic compounds, their manufacture and use as additives for fuels and lubricants INSTITUT FRANCAIS DU PETROLE (FR) 1979-07-03 US disclosed
US-4113637-A DISPERSANTS, DETERGENTS INSTITUT FRANCAIS DU PETROLE (FR) 1978-09-12 US disclosed
US-4071459-A Alkyl-guanidino-heterocyclic compounds, their manufacture and use as additives for fuels and lubricants INSTITUT FRANCAIS DU PETROLE (FR) 1978-01-31 US disclosed
US-3935314-A Anti-hypertensive compositions of benzimidazole derivatives BEECHAM GROUP LIMITED (EN) 1976-01-27 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 (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-20240335449-A1 COMBINATION THERAPY FOR VAV3 CANCER VAV1, ABL1, BCR ALOX15 3584/4885HSD17B10 3025/4885CYP1A2 3579/4885
US-11564913-B2 Compositions and methods for treating cancer HRAS, ING2, KRAS ALOX15 2530/4885HSD17B10 4113/4885CYP1A2 1415/4885
US-20230129271-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HRAS, ING2, KRAS ALOX15 2530/4885HSD17B10 4113/4885CYP1A2 1415/4885
US-12268680-B2 Compositions and methods for treating cancer HRAS, ING2, KRAS ALOX15 2530/4885HSD17B10 4113/4885CYP1A2 1415/4885

“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.