SCHEMBL19636196

SCHEMBL19636196

CNc1c(C(=O)N2CCCN(C)CC2)c2nc3ccc(CNc4c(C(=O)NC5CN(C)C5)c5nc6ccccc6n5c5nnc(F)cc45)cc3n2c2nnccc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 2/20 0.32
▸ NTRK1 P04629 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ CCR3 P51677 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
SCHEMBL19636467 0.84 NTRK1 (0.33) PARP1NTRK1CYP2D6CCR3
SCHEMBL19636468 0.83 PARP1 (0.31) PARP1NTRK1
SCHEMBL19636366 0.82 PARP1 (0.31) PARP1
SCHEMBL19636195 0.80 ALDH1A1 (0.39) —
SCHEMBL18057537 0.80 PARP1 (0.40) PARP1
SCHEMBL21466270 0.76 BRD4 (0.35) —
SCHEMBL18057520 0.76 HRH4 (0.37) PARP1
SCHEMBL18057544 0.76 ALDH1A1 (0.39) PARP1
SCHEMBL18057543 0.72 ALDH1A1 (0.39) —
SCHEMBL18057528 0.72 HRH4 (0.35) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10442801-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2019-10-15 — — US disclosed
US-9951066-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2018-04-24 — — US disclosed
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2017-11-23 — — 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-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 PARP1 218/4885NTRK1 4608/4885CYP2D6 2540/4885
US-10442801-B2 Compositions, uses and methods for making them BAX, CASP3, BCL2 PARP1 168/4885NTRK1 4680/4885CYP2D6 1708/4885

“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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