SCHEMBL19455004

SCHEMBL19455004

CNc1nc2ccc(Br)nc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.39
▸ MAOB P27338 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GPR183 P32249 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ APP P05067 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ HCK P08631 1/20 0.32
▸ BTK Q06187 1/20 0.32

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
SCHEMBL13218005 0.79 LDHA (0.40) LDHAMAOBPOLBNPC1RAB9A
SCHEMBL14243031 0.79 LCK (0.41) LDHAMAOBPOLBNPC1RAB9A
SCHEMBL13201318 0.79 LDHA (0.37) LDHAMAOBPOLBNPC1RAB9A
SCHEMBL1558460 0.78 DYRK1A (0.58) POLBNPC1RAB9ADYRK1ACYP1A2
SCHEMBL23095399 0.78 IRAK4 (0.44) LDHAMAOBPOLBNPC1RAB9A
SCHEMBL8147069 0.76 RAB9A (0.42) NPC1RAB9ADYRK1ACYP1A2CYP3A4
SCHEMBL17253548 0.75 SMN1; SMN2 (0.40) LDHAMAOBPOLBNPC1RAB9A
SCHEMBL30770739 0.75 SMN1; SMN2 (0.40) LDHAMAOBPOLBNPC1RAB9A
SCHEMBL172100 0.72 LCK (0.52) RAB9A
SCHEMBL2743449 0.72 NPC1 (0.47) NPC1RAB9AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 — — US disclosed
US-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists SAIL BIOMEDICINES, INC. 2023-07-27 — — US disclosed
WO-2021242955-A1 FUSED AZOLE HETEROCYCLES AS AHR ANTAGONISTS SENDA BIOSCIENCES, INC. (US) 2021-12-02 — — WO disclosed
US-20170291910-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 — — 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-20230234967-A1 Fused Azole Heterocycles as AHR Antagonists AHR, ARNT, AIPL1 LDHA 3476/4885MAOB 2352/4885POLB 3733/4885
US-20170291910-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS GPR119, GPR84, GPR65 LDHA 4388/4885MAOB 1397/4885POLB 4614/4885

“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.

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