SCHEMBL3255166

SCHEMBL3255166

COc1ccc(CCNc2c3nccn3nc(N)c2[C@H]2CC[C@H](N)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 2/20 0.37
TSHR P16473 2/20 0.36
IGF1R P08069 1/20 0.36
ROCK1 Q13464 1/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
MAPT P10636 1/20 0.34
ADORA2A P29274 2/20 0.34
RIPK2 O43353 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL3024622 0.91 AXL (0.41) SMN1; SMN2IGF1RAXLTYRO3MERTK
SCHEMBL3115298 0.88 AXL (0.40) AXLTYRO3MERTKADORA2AADORA3
SCHEMBL3023057 0.84 ZAP70 (0.37) HTTAXLTYRO3MERTKRIPK2
SCHEMBL3018888 0.83 MERTK (0.36) AXLTYRO3MERTK
SCHEMBL3024214 0.82 AXL (0.33) AXLTYRO3MERTK
SCHEMBL3013662 0.80 CCNE1 (0.31)
SCHEMBL3022536 0.79 MAPKAPK2 (0.38) ADORA3
SCHEMBL3131385 0.78 CCNE1 (0.35) TP53ABL1MAPT
SCHEMBL3532897 0.78 SYK (0.38) IGF1R
SCHEMBL3526588 0.78 JAK2 (0.44) IGF1RROCK1ADORA2AALDH1A1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP claimed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 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 (6 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 CYP1A2 1417/4885CYP3A4 1733/4885CYP2D6 2643/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 CYP1A2 349/4885CYP3A4 257/4885CYP2D6 1469/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 CYP1A2 1367/4885CYP3A4 2214/4885CYP2D6 2257/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CYP1A2 349/4885CYP3A4 257/4885CYP2D6 1469/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 CYP1A2 1776/4885CYP3A4 2545/4885CYP2D6 2839/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 CYP1A2 349/4885CYP3A4 257/4885CYP2D6 1469/4885

“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.