SCHEMBL3325213

SCHEMBL3325213

COc1ccccc1N=[N]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALDH1A1 P00352 4/20 0.44
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44

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
SCHEMBL483653 0.81 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL1405475 0.80 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL55260 0.80 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL1405477 0.80 CA1 (0.60) CA1CA2CA7CA9CA12
SCHEMBL1575877 0.78 CA1 (0.57) CA1CA2CA7CA9CA12
SCHEMBL13185882 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL944259 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL3325215 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL11710514 0.76 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1MAPTKMT2A
SCHEMBL14253085 0.74 KMT2A (0.53) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4141890-A FIBER-REACTIVE CIBA-GEIGY CORPORATION (US) 1979-02-27 US claimed
US-4011208-A 3-CYANO OR ACYL-4-ARYL-5-ARYLAZO-6-HYDROXYPYRIDONE-2 DYES SANDOZ LTD. (CH) 1977-03-08 US claimed
US-3930866-A MAGENTA FUJI PHOTO FILM CO., LTD. (JA) 1976-01-06 US claimed
WO-2023282014-A1 COMPOUND, PIGMENT, INK SHEET FOR THERMOSENSITIVE TRANSFER RECORDING 富士フイルム株式会社 2023-01-12 WO disclosed
US-8846704-B2 Thiopyrimidine-based compounds and uses thereof YM Biosciences Austraila Pty Ltd (US) 2014-09-30 US disclosed
US-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF YM BIOSCIENCES AUSTRALIA PTY LTD 2010-09-23 US disclosed
WO-2010054260-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES BIOTIE THERAPIES GMBH (DE) 2010-05-14 WO disclosed
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES WYETH (US) 2010-05-13 US disclosed
EP-1468051-A1 PHTHALOCYANINE DYE MIXTURE AND INK CONTAINING THE SAME Fuji Photo Film Co., Ltd. (JP) 2004-10-20 EP disclosed
WO-2003062324-A1 DYE MIXTURE AND INK CONTAINING THE SAME FUJI PHOTO FILM CO., LTD. (JP) 2003-07-31 WO disclosed
US-6500816-B1 ANTITUMOR NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-12-31 US disclosed
EP-0065811-A1 Disperse azopyrimidine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP disclosed
US-4346165-A INCORPORATING METAL COMPLEX AND SPECIFIC DISCOLORATION INHIBITION AID FUJI PHOTO FILM CO., LTD. (JP) 1982-08-24 US disclosed
US-4268592-A PYRAZOLONE MAGENTA COUPLER CIBA-GEIGY AG (CH) 1981-05-19 US disclosed
US-4123281-A Photographic silver halide color material containing fast-acting hardener and 2-pyrazolin-5-one coupler precursors AGFA-GEVAERT N.V. (BE) 1978-10-31 US disclosed
US-4062683-A Photographic material containing 3-anilino-5-pyrazolylalkylcarbonate or arylcarbonate couplers AGFA-GEVAERT N.V. (BE) 1977-12-13 US disclosed
US-4061498-A SILVER HALIDE EMULSION AGFA-GEVAERT, N.V. (BE) 1977-12-06 US disclosed
US-4011208-A 3-CYANO OR ACYL-4-ARYL-5-ARYLAZO-6-HYDROXYPYRIDONE-2 DYES SANDOZ LTD. (CH) 1977-03-08 US disclosed
US-3935015-A Silver halide color photographic materials containing 3-anilino-5-pyrazolane couplers FUJI PHOTO FILM CO., LTD. (JA) 1976-01-27 US disclosed
US-3930866-A MAGENTA FUJI PHOTO FILM CO., LTD. (JA) 1976-01-06 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 (2 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-20100239631-A1 THIOPYRIMIDINE-BASED COMPOUNDS AND USES THEREOF JAK3, JAK1, JAK2 CA1 4821/4885CA2 4796/4885CA7 4819/4885
US-20100120763-A1 IMIDAZO[5,1-C][1,2,4]BENZOTRIAZINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASES PDE2A, PDE5A, PDE3A CA1 3093/4885CA2 305/4885CA7 1031/4885

“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.