SCHEMBL21095216

SCHEMBL21095216

N#Cc1ccc(NC(=O)Cc2cc(Cl)cc3c2cnn3PI)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.59
▸ HTT P42858 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ RORC P51449 5/20 0.38
▸ DUSP3 P51452 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ CACNA1H O95180 4/20 0.37
▸ TMPRSS4 Q9NRS4 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ ATM Q13315 1/20 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
SCHEMBL29561359 0.78 IDO1 (0.54) IDO1HTTNPSR1MAPTLMNA
SCHEMBL19915966 0.78 IDO1 (0.54) IDO1HTTNPSR1MAPTLMNA
SCHEMBL19915964 0.74 IDO1 (1.00) IDO1HTTNPSR1MAPTLMNA
SCHEMBL29561669 0.74 IDO1 (1.00) IDO1HTTNPSR1MAPTLMNA
SCHEMBL19915715 0.66 IDO1 (0.51) IDO1HTTNPSR1MAPTLMNA
SCHEMBL22353169 0.66 IDO1 (0.48) IDO1HTTNPSR1MAPTLMNA
SCHEMBL20941635 0.65 MAPT (0.75) IDO1HTTNPSR1MAPTLMNA
SCHEMBL22800110 0.64 IDO1 (0.50) IDO1HTTNPSR1MAPTLMNA
SCHEMBL20941638 0.63 SAE1 (0.62) IDO1HTTMAPTLMNATSHR
SCHEMBL6621438 0.62 POLB (0.56) HTTMAPTLMNATSHRNLRP3

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-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2021-06-29 — — US disclosed
US-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2019-06-20 — — 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-20190185472-A1 FUSED HETEROCYCLIC DERIVATIVES, THEIR PREPARATION METHODS THEREOF AND MEDICAL USES THEREOF IDO1, IDO2, INMT IDO1 1/4885HTT 822/4885NPSR1 2097/4885
US-11046682-B2 Fused heterocyclic derivatives, their preparation methods thereof and medical uses thereof IDO1, IDO2, INMT IDO1 1/4885HTT 822/4885NPSR1 2097/4885

“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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