SCHEMBL18937464

SCHEMBL18937464

C/C=C\C=N/C(=C\C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PLA2G7 Q13093 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ CES2 O00748 2/20 0.30
▸ CES1 P23141 2/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ DAO P14920 1/20 0.30
▸ NAPRT Q6XQN6 1/20 0.30

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
SCHEMBL19085444 0.80 AKT1 (0.38) ATMTDP1TSHRALDH1A1CES2
SCHEMBL18792399 0.79 ATM (0.37) ATMTDP1TSHRPOLBMAPT
SCHEMBL26482446 0.74 TSHR (0.32) ATMTDP1TSHRPOLBCYP3A4
SCHEMBL19101609 0.71 TSHR (0.32) ATMTDP1TSHRPOLBCYP3A4
SCHEMBL19300441 0.70 AKT1 (0.38) ATMTDP1TSHRMAPTL3MBTL1
SCHEMBL18871861 0.68 ATM (0.35) ATMTDP1TSHRPOLBMAPT
SCHEMBL21389619 0.68 HTR3E (0.48) TDP1MAPTCYP2C19BLM
SCHEMBL17620786 0.66 KMT2A (0.33) POLBMAPTRECQLL3MBTL1ALDH1A1
SCHEMBL9519534 0.66 ALDH1A1 (0.38) TDP1TSHRPOLBCYP3A4PARP1
SCHEMBL22861519 0.66 KMT2A (0.50) POLBCYP3A4MAPTCYP2C19RECQL

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-9776968-B2 Processes for producing cycloalkylcarboxamido-pyridine benzoic acids VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-03 — — US disclosed
US-20170158676-A9 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-06-08 — — 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-20170158676-A9 PROCESSES FOR PRODUCING CYCLOALKYLCARBOXAMIDO-PYRIDINE BENZOIC ACIDS DDC, PCCA, KMO ATM 3103/4885TDP1 1684/4885TSHR 4792/4885

“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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