SCHEMBL3238935

SCHEMBL3238935

C[S+]([O-])c1ccc2c(c1)CCN2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.50
▸ DRD4 P21917 1/20 0.50
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GFER P55789 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
SCHEMBL19778191 0.81 DRD2 (0.46) DRD2DRD4CA12CA1CA2
SCHEMBL10564473 0.76 HTR2C (0.48) DRD2HRH3
SCHEMBL21254761 0.76 CA12 (0.40) CA12CA1CA2CA9MAPT
Hydrochloric Acid SCHEMBL10351372 0.75 HTR2C (0.47) DRD2HRH3
Hydrochloric Acid SCHEMBL11478357 0.72 PNMT (0.51) DRD2
SCHEMBL7206881 0.71 AHR (0.56) GAA
SCHEMBL12461 0.71 DRD2 (0.59) DRD2DRD4CA12CA1CA2
SCHEMBL28403784 0.70 DRD2 (0.63) DRD2DRD4CA12CA1CA2
SCHEMBL29756191 0.70 DRD2 (0.63) DRD2DRD4CA12CA1CA2
SCHEMBL27929849 0.68 DRD2 (0.55) DRD2DRD4CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210886-B1 PYRIMIDYL INDOLINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-09-23 — — EP disclosed
CN-101896481-B Pyrimidyl indoline compound DAIICHI SANKYO CO LTD 2014-04-30 — — CN disclosed
US-8232287-B2 Pyrimidyl indoline compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-31 — — US disclosed
CN-101896481-A Pyrimidyl indoline compound DAIICHI SANKYO CO LTD 2010-11-24 — — CN disclosed
US-20100292259-A1 PYRIMIDYL INDOLINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-11-18 — — US disclosed
EP-2210886-A1 PYRIMIDYL INDOLINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-07-28 — — EP disclosed
US-7101869-B2 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER INC. (US) 2006-09-05 — — US disclosed
EP-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 — — EP disclosed
US-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants BLUMENKOPF TODD A (US) 2003-10-09 — — US disclosed
CN-1402720-A 2,4-diaminopyrimidine compounds useful as immunosuppressants PFIZER PROD INC (US) 2003-03-12 — — CN 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-20030191307-A1 2,4-Diaminopyrimidine compounds useful as immunosuppressants CCR1, AOC1, NOD1 DRD2 1796/4885DRD4 1511/4885CA12 1709/4885
US-20100292259-A1 PYRIMIDYL INDOLINE COMPOUND GPR119, SLC5A2, SLC5A1 DRD2 1855/4885DRD4 614/4885CA12 4354/4885

“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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