SCHEMBL27059331

SCHEMBL27059331

Nc1cnn(C2CCN(C(=O)OCc3ccccc3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
CYP2C19 P33261 1/20 0.59
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
GRIN2B Q13224 9/20 0.51
CYP2D6 P10635 4/20 0.50
CYP2C9 P11712 4/20 0.50
CYP3A4 P08684 3/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.48
GPR119 Q8TDV5 1/20 0.47
ENPP2 Q13822 2/20 0.45
FAAH O00519 1/20 0.45

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
SCHEMBL28606141 0.85 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL27278368 0.85 AXL (0.42) SMN1; SMN2CYP2C19NPC1RAB9ACYP2C9
SCHEMBL27059333 0.82 SMN1; SMN2 (0.54) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL31330743 0.80 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL30066280 0.79 KDM5A (0.44) SMN1; SMN2CYP2C19CYP2C9CYP3A4GPR119
SCHEMBL18368416 0.79 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL30891597 0.79 PREP (0.47) SMN1; SMN2CYP2C19NPC1RAB9A
SCHEMBL28978073 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL19732305 0.78 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL15018080 0.78 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-09 US disclosed
US-12024503-B2 Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-07-02 US disclosed
CN-113993861-B Phenyl ethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods thereof 凌科药业(杭州)有限公司 2024-05-14 CN disclosed
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2024-01-25 US disclosed
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYNK PHARMACEUTICALS CO. LTD. (CN) 2022-08-18 US disclosed
CN-113993861-A Phenylethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives and compositions and methods thereof 凌科药业(杭州)有限公司 2022-01-28 CN 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 (4 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-12024503-B2 Benzethers and anilines of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof JAK3, JAK1, JAK2 SMN1; SMN2 2903/4885CYP2C19 95/4885NPC1 2216/4885
US-20220259182-A1 BENZETHERS AND ANILINES OF PYRAZOLYL-AMINO-PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK3, JAK1, JAK2 SMN1; SMN2 2935/4885CYP2C19 97/4885NPC1 2143/4885
US-12030870-B2 Benzamides of pyrazolylamino-pyrimidinyl derivatives, and compositions and methods thereof JAK2, JAK1, JAK3 SMN1; SMN2 3124/4885CYP2C19 174/4885NPC1 2368/4885
US-20240025882-A1 BENZAMIDES OF PYRAZOLYLAMINO- PYRIMIDINYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF JAK2, JAK1, JAK3 SMN1; SMN2 3124/4885CYP2C19 174/4885NPC1 2368/4885

“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.