SCHEMBL16363201

SCHEMBL16363201

O=C(Nc1ccc(-c2c(C(F)(F)F)cc3cc(CO)ccn23)cc1)c1cccc(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 12/20 0.49
▸ P2RX1 P51575 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ CRACR2A Q9BSW2 2/20 0.40
▸ S1PR1 P21453 2/20 0.38
▸ IL2 P60568 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL16363200 0.89 IL2 (0.48) IDO1IL2
SCHEMBL16363199 0.89 IDO1 (0.42) IDO1S1PR1
SCHEMBL1827067 0.85 IDO1 (0.49) IDO1P2RX1P2RX7CRACR2AMEN1
SCHEMBL1827437 0.84 RAB9A (0.46) IDO1CRACR2ATDP1
SCHEMBL16363194 0.82 IDO1 (0.52) IDO1P2RX1P2RX7CRACR2AS1PR1
SCHEMBL1827873 0.79 IDO1 (0.45) IDO1P2RX1P2RX7CRACR2AIL2
SCHEMBL27635478 0.79 MEN1 (0.52) IDO1MEN1KMT2ATDP1
SCHEMBL1825803 0.79 IDO1 (0.47) IDO1P2RX1P2RX7CRACR2AIL2
SCHEMBL1828878 0.78 RAB9A (0.43) IDO1CRACR2ATDP1
SCHEMBL1824963 0.77 ALDH1A1 (0.43) IDO1CRACR2AMEN1KMT2A

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-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2015-01-01 — — US disclosed
US-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 — — 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-20140107134-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 IDO1 249/4885P2RX1 460/4885P2RX7 211/4885
US-20150005320-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCR2, CXCL8, CCR9 IDO1 249/4885P2RX1 460/4885P2RX7 211/4885

“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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