SCHEMBL17200317

SCHEMBL17200317

Cc1nc2ccnc(Cl)c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.38
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
CDK2 P24941 3/20 0.37
CDK4 P11802 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KDM4E B2RXH2 3/20 0.36

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
SCHEMBL21621605 0.82 RAB9A (0.47) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL35211618 0.76 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL31726115 0.76 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL16835636 0.76 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL15795892 0.75 APP (0.41) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL15001036 0.75 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL793759 0.74 TYK2 (0.47) SMN1; SMN2HSD17B10ALDH1A1HPGDTP53
SCHEMBL792295 0.73 TYK2 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL31726056 0.73 GAA (0.34) RAB9ANPC1PKMKDM4EGAA
SCHEMBL16835641 0.73 GAA (0.34) RAB9ANPC1PKMKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210347785-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2021-11-11 US disclosed
EP-3831823-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-06-09 EP disclosed
EP-3134087-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2020-03-18 EP disclosed
EP-3134087-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2020-03-18 EP disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 US disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 US disclosed
US-9688698-B2 Heteroaromatic compounds and their use as dopamine D1 ligands PFIZER INC. (US) 2017-06-27 US disclosed
EP-3134087-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS Pfizer Inc. (US) 2017-03-01 EP disclosed
WO-2015162515-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 WO disclosed
WO-2015162515-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 WO disclosed
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 US disclosed
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 US disclosed
US-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER INC. (US) 2015-10-29 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-20150307522-A1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS DRD2, DRD1, DRD4 RAB9A 616/4885NPC1 542/4885SMN1; SMN2 1446/4885
US-20210347785-A1 PREPARATION AND APPLICATION OF AROMATIC COMPOUND HAVING IMMUNOREGULATORY FUNCTION CD274, PDCD1, PDCD1LG2 RAB9A 1828/4885NPC1 2808/4885SMN1; SMN2 4470/4885

“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.