SCHEMBL3198741

SCHEMBL3198741

Cc1nc2c(Cl)ncc(-c3cccnc3)c2s1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR35 Q9HC97 1/20 0.38
CYP2A6 P11509 5/20 0.37
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
AHR P35869 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
ROS1 P08922 2/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL3195222 0.90 CYP2A6 (0.44) NPC1HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL3181981 0.67 GPR35 (0.41) NPC1SMN1; SMN2POLBGPR35CYP2A6
SCHEMBL3174769 0.67 GCK (0.47) NPC1HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL3175014 0.65 CCNK (0.41) GPR35CYP2A6CYP3A4CYP2C19CYP2E1
SCHEMBL9727832 0.65 CYP2A6 (0.49) NPC1HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL5597110 0.65 CYP2A6 (0.47) NPC1HPGDSMN1; SMN2ALDH1A1POLB
SCHEMBL28073818 0.64 CYP2A6 (0.46) NPC1HPGDSMN1; SMN2ALDH1A1GPR35
SCHEMBL22064055 0.64 ALDH1A1 (0.39) NPC1HPGDALDH1A1POLBL3MBTL1
SCHEMBL20702380 0.64 EPHB4 (0.46) NPC1HPGDSMN1; SMN2ALDH1A1CYP2A6
SCHEMBL30127987 0.64 EPHB4 (0.46) NPC1HPGDSMN1; SMN2ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659401-B2 N-(2-methyl-7-pyridin-3-yl-thiazolo[4,5-c]pyridin-4-yl)-N-(2(4)-methyl-thiazol-4(2)-yl)-amine; metabotropic glutamate receptor antagonists; mGluR5 receptor mediated disorders; nervous system disorders; analgesics; incontinence; liver disorders; obesity; Fragile x syndrome; autism;Alzeimer's disease HOFFMANN-LA ROCHE INC. (US) 2010-02-09 US disclosed
US-20070105891-A1 Thiazole[4,5-C]pyridine derivatives HOFFMANN-LA ROCHE INC. 2007-05-10 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-20070105891-A1 Thiazole[4,5-C]pyridine derivatives GRM5, GRIK5, GRM1 NPC1 1014/4885HPGD 2203/4885SMN1; SMN2 2048/4885

“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.