SCHEMBL2921891

SCHEMBL2921891

CC(=O)Nc1cccc(N=C=S)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.57
MEN1 O00255 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
KMT2A Q03164 1/20 0.57
P2RY6 Q15077 1/20 0.57
RAD51 Q06609 2/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP1A2 P05177 1/20 0.53
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
NQO2 P16083 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL12927928 0.85 MAPT (0.56) ALDH1A1MAPTHSD17B10CYP1A2RAB9A
SCHEMBL30318924 0.85 MAPT (0.56) ALDH1A1MAPTHSD17B10CYP1A2RAB9A
SCHEMBL11415313 0.84 ALDH1A1 (0.55) ALDH1A1MAPTMEN1CYP3A4ALOX15
SCHEMBL11863066 0.83 ALDH1A1 (0.57) ALDH1A1MAPTMEN1CYP3A4ALOX15
SCHEMBL11864377 0.83 NPSR1 (0.55) ALDH1A1MAPTMEN1CYP3A4ALOX15
SCHEMBL14836990 0.80 TGM2 (0.55) ALDH1A1MAPTMEN1CYP3A4ALOX15
SCHEMBL10494616 0.80 MAPT (0.72) ALDH1A1MAPTKMT2AHSD17B10CYP1A2
SCHEMBL10494613 0.80 MAPT (0.72) ALDH1A1MAPTKMT2AHSD17B10CYP1A2
SCHEMBL3804765 0.80 RAB9A (0.56) ALDH1A1MAPTMEN1CYP3A4KMT2A
SCHEMBL12130854 0.80 ALDH1A1 (0.59) ALDH1A1MAPTMEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0448188-A2 Process and intermediates for the preparation of substituted 6-(3,5,6,7-tetrahydropyrrolo-[2,1-c][1,2,4]-thiadiazol-3-ylidenimino)-7-fluoro-2H-1,4-benzoxazin-3(4H)-ones SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-25 EP claimed
EP-2578584-B1 ARYLAMINO PURINE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF SI CHUAN UNIV (CN) 2020-08-12 EP 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
EP-0882717-B1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP disclosed
US-6750218-B2 INHIBITORY ACTIVITY ON PHOSPHORYLATION OF PLATELET-DERIVED GROWTH FACTOR (PDGF) RECEPTOR USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS MILLENNIUMIUM PHARMACEUTICALS, INC. 2004-06-15 US disclosed
US-20030229077-A1 Nitrogen-containing heterocyclic compounds MATSUNO KENJI (JP) 2003-12-11 US disclosed
US-6472391-B2 INHIBIT PHOSPHORYLATION OF PDGF RECEPTOR TO HINDER ABNORMAL CELL GROWTH AND CELL WANDERING; TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS. MILLENNIUM PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020068734-A1 Nitrogen-containing heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. 2002-06-06 US disclosed
US-6207667-B1 USEFUL FOR THE TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-03-27 US disclosed
US-6169088-B1 FOR THE PREVENTION OR TREATMENT OF CELL-PROLIFERATIVE DISEASES SUCH AS ARTERIOSCLEROSIS, VASCULAR REOBSTRUCTION, CANCER AND GLOMERULOSCLEROSIS KYOWA HAKKO KOGYO CO., LTD. (JP) 2001-01-02 US disclosed
US-6074813-A SILVER HALIDE PHOTOSENSITIVE MATERIAL FOR EMULSION LAYERS FUJI PHOTO FILM, CO., LTD. (JP) 2000-06-13 US disclosed
EP-0882717-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1998-12-09 EP disclosed
EP-0426112-B1 Silver halide photographic material FUJI PHOTO FILM CO LTD (JP) 1996-02-28 EP disclosed
US-5151357-A Light sensitive elements with phosphonate groups FUJI PHOTO FILM CO., LTD. (JP) 1992-09-29 US disclosed
EP-0448188-A2 Process and intermediates for the preparation of substituted 6-(3,5,6,7-tetrahydropyrrolo-[2,1-c][1,2,4]-thiadiazol-3-ylidenimino)-7-fluoro-2H-1,4-benzoxazin-3(4H)-ones SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-25 EP disclosed
EP-0448188-A2 Process and intermediates for the preparation of substituted 6-(3,5,6,7-tetrahydropyrrolo-[2,1-c][1,2,4]-thiadiazol-3-ylidenimino)-7-fluoro-2H-1,4-benzoxazin-3(4H)-ones SCHERING AKTIENGESELLSCHAFT (DE) 1991-09-25 EP disclosed
EP-0426112-A1 Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1991-05-08 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 (3 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-20030229077-A1 Nitrogen-containing heterocyclic compounds ERBB4, NPR1, PDGFRB ALDH1A1 3252/4885MAPT 4833/4885MEN1 4594/4885
US-20020068734-A1 Nitrogen-containing heterocyclic compounds PDGFRB, MKI67, PDGFRA ALDH1A1 3314/4885MAPT 4830/4885MEN1 4677/4885
US-20130203986-A1 Arylamino Purine Derivatives, Preparation Method and Pharmaceutical Use Thereof EGFR, PNP, GART ALDH1A1 886/4885MAPT 4808/4885MEN1 4327/4885

“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.