SCHEMBL16075033

SCHEMBL16075033

Nc1ncnc2[nH]nc(C3CCCCC3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.38
FFAR2 O15552 3/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
PRKDC P78527 2/20 0.36
ADK P55263 2/20 0.36
CSF1R P07333 2/20 0.35
PI4KA P42356 2/20 0.35
PI4K2B Q8TCG2 2/20 0.35
PI4K2A Q9BTU6 2/20 0.35
PI4KB Q9UBF8 2/20 0.35
ADORA2A P29274 1/20 0.35
DGAT1 O75907 1/20 0.34
LCK P06239 2/20 0.34
DAPK3 O43293 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
ABL1 P00519 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
SCHEMBL28091997 0.84 JAK2 (0.36) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29778119 0.83 IRAK4 (0.39) RETPIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL16654494 0.76 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387689 0.75 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL311474 0.73 CHEK1 (0.39) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28508442 0.70 RET (0.43) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29012931 0.69 FFAR2 (0.44) FFAR2CSF1RPI4KAPI4K2BPI4K2A
SCHEMBL27096911 0.69 CHEK1 (0.35)
SCHEMBL16074973 0.68 RET (0.50) RETPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL13717458 0.68 JAK3 (0.45) MAP4K4PRKACAFLT3CDK8MAP2K1

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
EP-2970300-B1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-05-16 EP disclosed
US-8940893-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-27 US disclosed
US-8940893-B2 Heteroaromatic compounds as BTK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-27 US disclosed
WO-2014152114-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-25 WO disclosed
US-20140275014-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 US disclosed
US-20140275014-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 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 (1 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-20140275014-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LYN RET 961/4885FFAR2 4627/4885PIK3CD 25/4885

“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.