SCHEMBL16339646

SCHEMBL16339646

Nc1ccnc(-c2cnn(CC3CC3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PI4KA P42356 1/20 0.49
PIK3CG P48736 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
EGFR P00533 1/20 0.48
LRRK2 Q5S007 2/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
ADORA2A P29274 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
CREBBP Q92793 1/20 0.38
PIM1 P11309 3/20 0.37
PIM3 Q86V86 2/20 0.37
PIM2 Q9P1W9 2/20 0.37
JAK2 O60674 1/20 0.35

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
SCHEMBL30911637 0.77 PIK3CA (0.39) PIK3CDPIK3CAPIK3CGEGFRPIM1
SCHEMBL27263226 0.76 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL28945139 0.75 SCN9A (0.47) PIK3CDPIK3CAPIK3CGPI4KBLRRK2
SCHEMBL23753887 0.75 MTOR (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL18781279 0.73 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL19160196 0.73 IRAK4 (0.35) EGFRLRRK2IRAK4
SCHEMBL15740878 0.72 EGFR (0.42) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL31457582 0.72 RXFP1 (0.39) PIK3CDEGFRLRRK2ADORA2AIRAK4
SCHEMBL15741966 0.72 EGFR (0.52) EGFR
SCHEMBL30983113 0.72 ALDH1A1 (0.58) ADORA2APIM1

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
US-20250345329-A1 HETEROARYL DERIVATIVE COMPOUND AND USES THEREOF VORONOI INC (KR) 2025-11-13 US disclosed
EP-4534532-A1 HETEROARYL DERIVATIVE COMPOUND AND USES THEREOF Voronoi Inc. (KR) 2025-04-09 EP disclosed
US-12258327-B2 5-membered heteroaryl-containing aminopyridine compounds as EGFR inhibitors YUHAN CORPORATION (KR) 2025-03-25 US disclosed
US-20230085912-A1 5-MEMBERED HETEROARYL-CONTAINING AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2023-03-23 US disclosed
WO-2023027516-A1 5-MEMBERED HETEROARYL-CONTAINING AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS YUHAN CORPORATION (KR) 2023-03-02 WO disclosed
EP-3052494-B1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS HOFFMANN LA ROCHE (CH) 2018-12-26 EP disclosed
US-9951064-B2 Azaindazole compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-04-24 US disclosed
US-9951064-B2 Azaindazole compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-04-24 US disclosed
US-9951064-B2 Azaindazole compounds as inhibitors of T790M containing EGFR mutants GENENTECH, INC. (US) 2018-04-24 US disclosed
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 US disclosed
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 US disclosed
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2016-09-08 US disclosed
EP-3052494-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS Genentech, Inc. (US) 2016-08-10 EP disclosed
WO-2014210354-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-12-31 WO disclosed
WO-2014210354-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS GENENTECH, INC. (US) 2014-12-31 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 (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-20230085912-A1 5-MEMBERED HETEROARYL-CONTAINING AMINOPYRIDINE COMPOUNDS AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 PIK3CD 44/4885PIK3CA 38/4885PIK3CB 72/4885
US-12258327-B2 5-membered heteroaryl-containing aminopyridine compounds as EGFR inhibitors EGFR, ERBB2, ERBB4 PIK3CD 44/4885PIK3CA 38/4885PIK3CB 72/4885
US-20250345329-A1 HETEROARYL DERIVATIVE COMPOUND AND USES THEREOF EGFR, ERBB2, ERBB3 PIK3CD 128/4885PIK3CA 133/4885PIK3CB 143/4885
US-20160257682-A1 AZAINDAZOLE COMPOUNDS AS INHIBITORS OF T790M CONTAINING EGFR MUTANTS EGFR, ERBB2, ERBB3 PIK3CD 94/4885PIK3CA 22/4885PIK3CB 113/4885

“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.