SCHEMBL30199352

SCHEMBL30199352

N#Cc1c[nH]c2ncncc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.54
RPS6KA5 O75582 1/20 0.42
MAP3K7 O43318 1/20 0.40
TAB1 Q15750 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HASPIN Q8TF76 1/20 0.40
CHUK O15111 3/20 0.39
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
CDC42BPA Q5VT25 2/20 0.38
CDC42BPB Q9Y5S2 2/20 0.38
HSP90AB1 P08238 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
NTRK1 P04629 1/20 0.37
DYRK1A Q13627 1/20 0.36

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
SCHEMBL5260963 1.00 LRRK2 (0.54) LRRK2RPS6KA5MAP3K7TAB1CCNT1
Hydrochloric Acid SCHEMBL28274256 0.98 LRRK2 (0.53) LRRK2RPS6KA5MAP3K7TAB1CCNT1
SCHEMBL1799199 0.81 RPS6KA5 (0.42) LRRK2RPS6KA5CCNT1CDK9AAK1
SCHEMBL18789206 0.78 LRRK2 (0.50) LRRK2RPS6KA5CCNT1CDK9PRMT5
SCHEMBL1796396 0.76 AAK1 (0.40) LRRK2RPS6KA5CCNT1CDK9AAK1
SCHEMBL25401085 0.75 CHUK (0.51) LRRK2CHUK
SCHEMBL5815182 0.74 AAK1 (0.57) LRRK2RPS6KA5AAK1
SCHEMBL31049378 0.71 LRRK2 (0.51) LRRK2CCNT1CDK9HASPINCHUK
SCHEMBL1564211 0.71 LRRK2 (0.51) LRRK2CCNT1CDK9HASPINCHUK
SCHEMBL3004634 0.71 LRRK2 (0.51) LRRK2CCNT1CDK9HASPINCHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067668-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-02-29 US claimed
EP-4273149-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF Voronoi Inc. (KR) 2023-11-08 EP claimed
CN-111527091-B Oxy-fluoropiperidine derivatives as kinase inhibitors 株式会社大熊制药 2023-03-28 CN claimed
CN-116003441-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2025-06-10 CN disclosed
CN-115925705-B Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2024-12-31 CN disclosed
CN-118119611-A Small molecules for degradation of DOT1L and uses thereof 丹娜-法伯癌症研究所 2024-05-31 CN disclosed
US-20240067668-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF VORONOI INC. (KR) 2024-02-29 US disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 US disclosed
CN-116003441-A Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-04-25 CN disclosed
CN-115925705-A Heteroaromatic derivative regulator, preparation method and application thereof 江苏豪森药业集团有限公司 2023-04-07 CN disclosed
CN-111527091-B Oxy-fluoropiperidine derivatives as kinase inhibitors 株式会社大熊制药 2023-03-28 CN disclosed
US-20230066011-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO CO., LTD. (KR) 2023-03-02 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 (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-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT TTK, TTBK1, TTBK2 LRRK2 509/4885RPS6KA5 490/4885MAP3K7 153/4885
US-20240067668-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF ERBB2, EGFR, ERBB3 LRRK2 27/4885RPS6KA5 464/4885MAP3K7 515/4885
US-20230066011-A1 PYRROLOPYRIMIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING PROTEIN KINASE-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT LRRK2, BRCA1, PARK7 LRRK2 1/4885RPS6KA5 25/4885MAP3K7 81/4885

“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.