SCHEMBL22263114

SCHEMBL22263114

Clc1ccc(Cl)c(CN2CN=C(SCc3ccccc3)NC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.43
▸ CYP2D6 P10635 3/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 6/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ DRD2 P14416 1/20 0.37

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
SCHEMBL20917818 0.91 KMT2A (0.46) CYP1A2CYP2D6TSHRSIGMAR1L3MBTL1
SCHEMBL20917965 0.81 MAPK1 (0.41) CYP1A2CYP2D6TSHRSIGMAR1L3MBTL1
SCHEMBL22263103 0.81 KMT2A (0.47) CYP1A2CYP2D6TSHRSIGMAR1KMT2A
SCHEMBL22263137 0.80 MAPK1 (0.50) CYP1A2CYP2D6TSHRSIGMAR1MAPK1
SCHEMBL20918028 0.79 CYP1A2 (0.44) CYP1A2CYP2D6TSHRSIGMAR1L3MBTL1
SCHEMBL19061440 0.78 MAPK1 (0.46) SIGMAR1MAPK1LMNAALDH1A1HTT
SCHEMBL19061872 0.77 MAPK1 (0.41) CYP1A2CYP2D6TSHRSIGMAR1L3MBTL1
SCHEMBL19061597 0.77 KDM4E (0.41) CYP1A2CYP2D6TSHRSIGMAR1MAPK1
SCHEMBL19019834 0.76 PLA2G7 (0.47) CYP1A2CYP2D6MAPK1KMT2AMEN1
SCHEMBL22275730 0.76 ALDH1A1 (0.51) CYP1A2CYP2D6TSHRSIGMAR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — 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-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 CYP1A2 363/4885CYP2D6 575/4885TSHR 115/4885

“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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