SCHEMBL1002604

SCHEMBL1002604

O=Cc1cn(-c2ccc(I)cc2)nc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
POLB P06746 2/20 0.40
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 2/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
NLRP3 Q96P20 1/20 0.35
DGAT1 O75907 3/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
HPGD P15428 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
SCHEMBL12424374 0.86 POLB (0.54) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL26136150 0.85 PTGS2 (0.42) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL14304515 0.84 PTGS2 (0.58) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL19795386 0.78 TRPA1 (0.42) PTGS2POLB
SCHEMBL19795019 0.77 PTGS2 (0.37) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL5904825 0.77 PTGS2 (0.40) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL20726104 0.72 POLB (0.75) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL1004409 0.72 PTGS2 (0.80) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL3506277 0.71 KMT2A (0.74) PTGS2POLBKMT2AALDH1A1SMN1; SMN2
SCHEMBL718415 0.70 PTGS2 (0.42) PTGS2POLBKMT2AALDH1A1SMN1; SMN2

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-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US disclosed
US-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US disclosed
US-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 US disclosed
WO-2007137792-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO 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-20110015241-A1 SUBSTITUTED HETEROCYCLES AND USE THEREOF F2, VKORC1, HMBS PTGS2 300/4885POLB 1431/4885KMT2A 2803/4885

“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.