SCHEMBL22044102

SCHEMBL22044102

O=C(NCc1cccc(C(F)(F)F)c1)c1csc(-c2cnc3cnccn23)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 15/20 0.48
▸ DDR2 Q16832 11/20 0.48
▸ KIT P10721 9/20 0.48
▸ ABL1 P00519 8/20 0.48
▸ BCR P11274 8/20 0.48
▸ MLYCD O95822 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ PLA2G1B P04054 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ATG4B Q9Y4P1 1/20 0.46
▸ ROCK2 O75116 1/20 0.45
▸ MAPK14 Q16539 1/20 0.43

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
SCHEMBL22044486 0.85 DDR1 (0.48) DDR1DDR2KITABL1BCR
SCHEMBL22044497 0.83 MLYCD (0.48) ABL1BCRMLYCDMEN1PLA2G1B
SCHEMBL22044156 0.81 DDR1 (0.41) DDR1DDR2KITABL1BCR
SCHEMBL22044907 0.79 ROCK2 (0.45) DDR1DDR2KITABL1BCR
SCHEMBL22044466 0.74 MLYCD (0.49) DDR2MLYCDMEN1PLA2G1BCYP1A2
SCHEMBL22043993 0.74 ROCK2 (0.54) MLYCDMEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL5210610 0.72 MLYCD (0.64) MLYCDMEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL1568282 0.71 MLYCD (0.74) MLYCDMEN1PLA2G1BCYP1A2CYP3A4
SCHEMBL22044051 0.70 MLYCD (0.51) DDR2MLYCDMEN1PLA2G1BCYP1A2
SCHEMBL22044874 0.70 ABL1 (0.43) ABL1BCRKMT2AMAPK14

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-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof Amcure Biosciences Pte. Ltd. (SG) 2020-06-04 — — 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-20200172521-A1 Five-Membered-Fused-Six-Membered Aza-Aromatic Ring Compound, Preparation Method Thereof, Pharmaceutical Composition And Application Thereof KRAS, NRAS, RASSF5 DDR1 3947/4885DDR2 4221/4885KIT 287/4885

“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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