SCHEMBL17809808

SCHEMBL17809808

Cc1ccc(-c2cnn(C3CC3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.52
ALK Q9UM73 4/20 0.50
KCNH2 Q12809 2/20 0.50
RIPK3 Q9Y572 1/20 0.50
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
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
IRAK4 Q9NWZ3 3/20 0.42
IRAK1 P51617 1/20 0.41
KIT P10721 2/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
WNT1 P04628 1/20 0.40
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
Ammonia Solution, Strong SCHEMBL28956716 0.98 RIPK1 (0.51) RIPK1ALKKCNH2RIPK3PIK3CD
SCHEMBL3246673 0.90 RIPK1 (0.46) RIPK1ALKKCNH2RIPK3PIK3CD
SCHEMBL3126749 0.89 ALK (0.59) ALKKCNH2RIPK3CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL20135201 0.88 ALK (0.58) ALKKCNH2RIPK3CHRNB2CHRNA4
SCHEMBL18519539 0.82 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL17806588 0.81 PIK3CD (0.46) RIPK1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL30576672 0.80 PIK3CD (0.47) RIPK1ALKPIK3CDPIK3CAPIK3CB
SCHEMBL20456870 0.78 PIK3CD (0.46) RIPK1ALKKCNH2PIK3CDPIK3CA
SCHEMBL28956713 0.78 PIK3CD (0.49) ALKPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL28216126 0.78 RIPK1 (0.40) RIPK1ALKKCNH2RIPK3KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3224258-B1 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH INC (US) 2019-08-14 EP disclosed
US-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 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 (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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 RIPK1 3368/4885ALK 2898/4885KCNH2 2291/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 RIPK1 3368/4885ALK 2898/4885KCNH2 2291/4885

“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.