SCHEMBL19500735

SCHEMBL19500735

CN1CCN(Cc2ccc(NC(=O)c3ccc(F)c(I)c3)cc2C(F)(F)F)CC1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 6/20 0.82
▸ BRAF P15056 12/20 0.69
▸ EGFR P00533 10/20 0.66
▸ FGFR1 P11362 1/20 0.62
▸ KDR P35968 1/20 0.62
▸ CSF1R P07333 1/20 0.60

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
SCHEMBL27933497 0.91 KIT (0.84) KITBRAFEGFRCSF1R
SCHEMBL29493482 0.90 KIT (1.00) KITBRAFEGFRCSF1R
SCHEMBL30080656 0.90 KIT (1.00) KITBRAFEGFRCSF1R
SCHEMBL588975 0.90 KIT (1.00) KITBRAFEGFRCSF1R
SCHEMBL15442316 0.90 KIT (0.81) KITBRAFEGFRFGFR1KDR
SCHEMBL19500739 0.88 KIT (0.78) KITBRAFEGFRFGFR1
SCHEMBL19500734 0.88 KIT (0.78) KITBRAFEGFR
SCHEMBL18323290 0.87 KIT (0.85) KITBRAFEGFRFGFR1KDR
SCHEMBL588917 0.86 KIT (0.93) KITBRAFEGFRCSF1R
SCHEMBL27754292 0.86 KIT (0.75) KITBRAFEGFRCSF1R

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-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof St. Chuan University (CN) 2019-04-23 — — US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 — — US disclosed
US-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIVERSITY (CN) 2017-10-26 — — 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-20170305920-A1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF DPYD, TYMP, WEE1 KIT 262/4885BRAF 516/4885EGFR 1904/4885
US-10266537-B2 3-acetylenyl-pyrazole-pyrimidine derivative, and preparation method therefor and uses thereof DPYD, TYMP, WEE1 KIT 262/4885BRAF 516/4885EGFR 1904/4885

“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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