SCHEMBL2476576

SCHEMBL2476576

CC(C)Nc1ncnc2c(Br)csc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LPAR2 Q9HBW0 12/20 0.38
▸ LPAR1 Q92633 7/20 0.38
▸ EGFR P00533 2/20 0.36
▸ PRKCI P41743 3/20 0.36
▸ CD38 P28907 1/20 0.35
▸ ADRB3 P13945 1/20 0.33
▸ TSPO P30536 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ LPAR4 Q99677 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33
▸ LPAR3 Q9UBY5 1/20 0.33
▸ MAP4K4 O95819 1/20 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
SCHEMBL6645224 0.77 KDM4E (0.35) LMNAHTTSMN1; SMN2PRKCI
SCHEMBL17895522 0.77 JAK2 (0.40) LMNASMN1; SMN2PRKCICD38MAP4K4
SCHEMBL29484292 0.77 JAK2 (0.40) LMNASMN1; SMN2PRKCICD38MAP4K4
Hydrochloric Acid SCHEMBL5641475 0.76 PRKCI (0.34) LMNAHTTSMN1; SMN2EGFRPRKCI
SCHEMBL15214852 0.75 LPAR2 (0.42) LMNAHTTSMN1; SMN2LPAR2CD38
SCHEMBL20399257 0.74 EGFR (0.39) LPAR2LPAR1EGFR
SCHEMBL15214864 0.74 LPAR2 (0.40) LMNAHTTSMN1; SMN2LPAR2LPAR1
SCHEMBL2477392 0.74 MAPK1 (0.41) LMNAHTTSMN1; SMN2LPAR2EGFR
SCHEMBL10176269 0.72 LPAR2 (0.39) HTTLPAR2CD38
SCHEMBL24927432 0.72 CHEK2 (0.46) LMNAHTTSMN1; SMN2LPAR2PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 — — EP disclosed
EP-2373163-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-06-10 — — EP disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 — — US disclosed
EP-2373163-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-12 — — EP disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 — — US disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 — — WO disclosed
WO-2010080503-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 — — 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 (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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 LMNA 97/4885HTT 2623/4885SMN1; SMN2 981/4885

“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.

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