SCHEMBL17889457

SCHEMBL17889457

CC1CN(c2cccc3nccn23)CCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 3/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ KIT P10721 1/20 0.37
▸ ROCK1 Q13464 4/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ ACVR1 Q04771 2/20 0.37
▸ CHEK1 O14757 1/20 0.37
▸ MAP4K4 O95819 1/20 0.37
▸ CSF1R P07333 1/20 0.37
▸ PRKACA P17612 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.37
▸ MAP4K2 Q12851 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ LIMK1 P53667 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL17889408 0.81 IRAK4 (0.40) PRKCQPRKCDROCK1DYRK1ACSNK1E
SCHEMBL21268731 0.80 PLD1 (0.44) ROCK1CDK8ACVR1CHEK1MAP4K4
SCHEMBL24126733 0.74 F10 (0.41) ROCK1CDK8ACVR1CHEK1MAP4K4
SCHEMBL22756578 0.74 HTR3E (0.45) ROCK1CDK8ACVR1CHEK1MAP4K4
SCHEMBL30178157 0.71 BRD9 (0.46) ROCK1CDK8ACVR1CHEK1MAP4K4
SCHEMBL8358806 0.70 ALDH1A1 (0.53) PRKCQPRKCDKITROCK1KHK
SCHEMBL2244390 0.70 ALDH1A1 (0.53) PRKCQPRKCDKITROCK1KHK
SCHEMBL12356280 0.70 ALDH1A1 (0.53) PRKCQPRKCDKITROCK1KHK
Hydrochloric Acid SCHEMBL7099422 0.69 F10 (0.40) ROCK1CDK8ACVR1CHEK1MAP4K4
SCHEMBL30778595 0.69 CDK8 (0.41) ROCK1CDK8ACVR1CHEK1MAP4K4

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-RE48622-E1 Therapeutically active pyrazolo-pyrimidine derivatives UCB Biopharma SRL (BE) 2021-07-06 — — US disclosed
US-9714248-B2 Therapeutically active pyrazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2017-07-25 — — US disclosed
US-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2016-07-07 — — 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-20160194329-A1 Therapeutically Active Pyrazolo-Pyrimidine Derivatives HAVCR2, TPMT, NFATC1 PRKCQ 2698/4885PRKCD 2415/4885KIT 4129/4885

“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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