SCHEMBL17980683

SCHEMBL17980683

CNc1cc(Cl)nc2c(Cl)cnn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.47
▸ CDK2 P24941 7/20 0.47
▸ CCNT1 O60563 3/20 0.43
▸ CDK9 P50750 3/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CCNA2 P20248 2/20 0.43
▸ CCND1 P24385 2/20 0.43
▸ CCNE1 P24864 2/20 0.43
▸ CDK7 P50613 2/20 0.43
▸ CCNH P51946 2/20 0.43
▸ CCNA1 P78396 2/20 0.43
▸ CDK3 Q00526 2/20 0.43
▸ CDK6 Q00534 2/20 0.43
▸ CDK5 Q00535 2/20 0.43
▸ CDK5R1 Q15078 2/20 0.43
▸ CCNC P24863 1/20 0.43
▸ CDK8 P49336 1/20 0.43
▸ TYK2 P29597 7/20 0.36
▸ MAPKAPK2 P49137 1/20 0.34

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
SCHEMBL23772369 0.85 CDK2 (0.46) GSK3BCDK2CCNT1CDK9CDK1
SCHEMBL20689133 0.83 CDK2 (0.45) GSK3BCDK2CCNT1CDK9CDK1
SCHEMBL14543039 0.83 GSK3B (0.61) GSK3BCDK2CCNA2CCNA1MAPKAPK2
SCHEMBL22342896 0.80 KDM4E (0.50) CDK2TYK2PDE4D
SCHEMBL30083419 0.78 CDK2 (0.40) CDK2CCNT1CDK9CDK1CDK4
SCHEMBL21947188 0.77 TYK2 (0.61) TYK2
SCHEMBL26253848 0.77 PKM (0.42) GSK3BCDK2TYK2KCNN3
SCHEMBL24174228 0.76 CDK2 (0.50) GSK3BCDK2CCNT1CDK9CDK1
SCHEMBL12953072 0.76 PDE10A (0.46) CDK2CCNT1CDK9CDK1CDK4
SCHEMBL26867692 0.75 CDK2 (0.52) GSK3BCDK2CCNT1CDK9CDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778604-B1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA FARBER CANCER INST INC (US) 2026-01-07 — — EP disclosed
CN-113563342-A LRRK2 inhibitors and methods of making and using the same 达纳-法伯癌症研究所公司 2021-10-29 — — CN disclosed
CN-107801397-B LRRK2 inhibitors and methods of making and using the same 达纳-法伯癌症研究所公司 2021-07-30 — — CN disclosed
US-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 — — US disclosed
US-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-22 — — US disclosed
EP-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3778604-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3778605-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
EP-3778605-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana Farber Cancer Institute, Inc. (US) 2021-02-17 — — EP disclosed
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-09 — — US disclosed
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-09 — — US disclosed
US-20180244676-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-08-30 — — US disclosed
EP-3256475-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME Dana-Farber Cancer Institute, Inc. (US) 2017-12-20 — — EP disclosed
WO-2016130920-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-08-18 — — WO disclosed
WO-2016130920-A2 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-08-18 — — 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 (3 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-20180244676-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME LRRK2, PARK7, PINK1 GSK3B 35/4885CDK2 267/4885CCNT1 3138/4885
US-20210115055-A1 LRRK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME LRRK2, PARK7, PINK1 GSK3B 35/4885CDK2 267/4885CCNT1 3138/4885
US-10913744-B2 LRRK2 inhibitors and methods of making and using the same LRRK2, PARK7, PINK1 GSK3B 35/4885CDK2 267/4885CCNT1 3138/4885

“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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