SCHEMBL20820101

SCHEMBL20820101

CCOC(=O)c1cc(-c2ccc(C#N)cc2)n(-c2ccc(N(C)C)cc2)n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.57
CA9 Q16790 3/20 0.56
CHRNA7 P36544 2/20 0.54
RPA1 P27694 1/20 0.49
FAAH O00519 2/20 0.47
BCL2 P10415 1/20 0.46
MDM2 Q00987 1/20 0.46
MCL1 Q07820 1/20 0.46

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
SCHEMBL22892018 0.88 CA9 (0.58) KDM1ACA9CHRNA7RPA1FAAH
SCHEMBL9206997 0.88 CHRNA7 (0.70) KDM1ACA9CHRNA7RPA1FAAH
SCHEMBL5148820 0.87 CA9 (0.57) KDM1ACA9CHRNA7RPA1FAAH
SCHEMBL8922991 0.86 CA9 (0.56) KDM1ACA9CHRNA7RPA1FAAH
SCHEMBL20820086 0.84 KDM1A (0.60) KDM1ACA9CHRNA7FAAH
SCHEMBL5524647 0.81 KMT2A (0.52) KDM1ACA9CHRNA7RPA1FAAH
SCHEMBL16876862 0.81 CA9 (0.55) KDM1ACA9CHRNA7RPA1FAAH
SCHEMBL18865603 0.80 GAA (0.49) CA9CHRNA7
SCHEMBL16797270 0.80 KMT2A (0.52) CA9
SCHEMBL5528274 0.80 CA9 (0.52) CA9CHRNA7RPA1FAAHBCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681877-B1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF HANMI PHARMACEUTICAL CO LTD (KR) 2024-10-16 EP disclosed
CN-111094265-B Pyrazole derivative compound and use thereof 韩美药品株式会社 2023-07-25 CN disclosed
US-11254676-B2 Pyrazole derivative compound and use thereof HANMI PHARM. CO., LTD. (KR) 2022-02-22 US disclosed
US-11254676-B2 Pyrazole derivative compound and use thereof HANMI PHARM. CO., LTD. (KR) 2022-02-22 US disclosed
US-20210009591-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF HANMI PHARM. CO., LTD. (KR) 2021-01-14 US disclosed
US-20210009591-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF HANMI PHARM. CO., LTD. (KR) 2021-01-14 US disclosed
EP-3681877-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF Hanmi Pharm. Co., Ltd. (KR) 2020-07-22 EP disclosed
CN-111094265-A Pyrazole derivative compound and use thereof 韩美药品株式会社 2020-05-01 CN disclosed
WO-2019054766-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF HANMI PHARM. CO., LTD. (KR) 2019-03-21 WO 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-20210009591-A1 PYRAZOLE DERIVATIVE COMPOUND AND USE THEREOF KDM1A, KDM3A, KDM1B KDM1A 1/4885CA9 3556/4885CHRNA7 2344/4885
US-11254676-B2 Pyrazole derivative compound and use thereof KDM1A, KDM3A, KDM1B KDM1A 1/4885CA9 3556/4885CHRNA7 2344/4885

“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.