SCHEMBL9701237

SCHEMBL9701237

Oc1cccc(N=C=S)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.54
CYP3A4 P08684 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CA12 O43570 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
LMNA P02545 1/20 0.46
CA5A P35218 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
P2RY6 Q15077 3/20 0.45
MAPT P10636 2/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 2/20 0.41
CYP2D6 P10635 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL483888 0.84 MIF (0.67) MIFCYP3A4ALDH1A1CA2HSD17B10
Bitoscanate SCHEMBL11598436 0.79 MIF (0.68) MIFCYP3A4ALDH1A1CA2HSD17B10
SCHEMBL5721840 0.79 CA12 (0.58) CYP3A4ALDH1A1CA12CA2CA9
SCHEMBL5721846 0.79 CA12 (0.58) CYP3A4ALDH1A1CA12CA2CA9
SCHEMBL30940204 0.79 CA12 (0.58) CYP3A4ALDH1A1CA12CA2CA9
SCHEMBL9460699 0.78 CYP3A4 (0.46) CYP3A4ALDH1A1CA12CA2CA9
Carbon Dioxide SCHEMBL9270437 0.77 CYP3A4 (0.44) CYP3A4ALDH1A1CA12CA2CA9
SCHEMBL11053294 0.77 MIF (0.44) MIFCYP3A4ALDH1A1CA2HSD17B10
SCHEMBL14305109 0.74 MIF (0.54) MIFCYP3A4ALDH1A1CA2HSD17B10
SCHEMBL20337 0.74 MIF (0.54) MIFCYP3A4ALDH1A1MEN1KMT2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114516848-B Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition 万华化学集团股份有限公司 2024-02-02 CN claimed
CN-114516848-A Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition 万华化学集团股份有限公司 2022-05-20 CN claimed
CN-114516848-B Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition 万华化学集团股份有限公司 2024-02-02 CN disclosed
CN-114516848-A Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition 万华化学集团股份有限公司 2022-05-20 CN disclosed
EP-2578584-B1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SI CHUAN UNIV (CN) 2020-08-12 EP disclosed
CN-105832740-B Aryl amine purine derivative and preparation method thereof and purposes in medicine 石药集团中奇制药技术(石家庄)有限公司 2019-02-12 CN disclosed
CN-105832740-A Aromatic amino purine derivative as well as preparation method and pharmaceutical application thereof 石药集团中奇制药技术(石家庄)有限公司 2016-08-10 CN disclosed
US-9096601-B2 Arylamino purine derivatives, preparation method and pharmaceutical use thereof CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2015-08-04 US disclosed
US-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof SI Chuaan University (CN) 2013-08-08 US disclosed
EP-2578584-A1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF Si Chuan University (CN) 2013-04-10 EP disclosed
WO-1992000526-A1 PEPTIDE SEQUENCING METHOD AND REAGENTS THEREFOR GARIEPY KATHLEEN COX (US) 1992-01-09 WO disclosed
US-4242122-A CARBAMOYL-OXY AND -THIO DERIVATIVES OF PHENYLUREA MONSANTO COMPANY (US) 1980-12-30 US disclosed
US-4089887-A Process for the production of isothiocyanates DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1978-05-16 US disclosed
US-4013450-A Herbicidal ureido containing carbanilates MONSANTO COMPANY (US) 1977-03-22 US disclosed
US-4000253-A FUNGICIDES, BACTERICIDES, ALGICIDES STAUFFER CHEMICAL COMPANY (US) 1976-12-28 US disclosed
US-3996275-A HERBICIDES MONSANTO COMPANY (US) 1976-12-07 US disclosed
US-3956384-A HERBICIDE MONSANTO COMPANY (US) 1976-05-11 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 (1 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-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof EGFR, PNP, GART MIF 3842/4885CYP3A4 1146/4885ALDH1A1 886/4885

“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.