SCHEMBL369182

SCHEMBL369182

[CH2]n1c(C)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
MAPK1 P28482 1/20 0.55
TSHR P16473 2/20 0.52
LMNA P02545 4/20 0.50
TP53 P04637 2/20 0.50
TNF P01375 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
GALR3 O60755 3/20 0.47
NR2F2 P24468 3/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
ALDH3A1 P30838 1/20 0.45

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
SCHEMBL19486460 0.77 TSHR (0.82) HTTMAPK1TSHRLMNATP53
SCHEMBL353890 0.76 SMN1; SMN2 (0.63) HTTMAPK1TSHRLMNATP53
SCHEMBL20143511 0.74 HTT (0.55) HTTMAPK1TSHRLMNATP53
Bromide SCHEMBL5318089 0.74 SMN1; SMN2 (0.61) HTTMAPK1TSHRLMNATP53
SCHEMBL3448726 0.74 HTT (0.55) HTTMAPK1TSHRLMNATP53
SCHEMBL8422526 0.74 HTT (0.55) HTTMAPK1TSHRLMNATP53
Ammonia Solution, Strong SCHEMBL19182582 0.74 SMN1; SMN2 (0.61) HTTMAPK1TSHRLMNATP53
Iodide SCHEMBL336205 0.74 SMN1; SMN2 (0.61) HTTMAPK1TSHRLMNATP53
SCHEMBL18347137 0.74 HTT (0.55) HTTMAPK1TSHRLMNATP53
SCHEMBL5144258 0.74 NOS2 (0.61) HTTMAPK1TSHRLMNATP53

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP claimed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US claimed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US claimed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP claimed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 WO claimed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US claimed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US claimed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP claimed
EP-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP claimed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 US claimed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
EP-1847534-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2012-03-21 EP disclosed
US-6720329-B2 ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA 2004-04-13 US disclosed
EP-1023268-B1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LTD (GB) 2003-05-21 EP disclosed
US-6248738-B1 ANTIULCER AGENTS, ANGIOGENESIS INHIBITORS, ANTIMETASTASIS AGENTS, ANTITUMOR AGENTS PFIZER INC. 2001-06-19 US disclosed
EP-1023268-A1 ISOQUINOLINES AS UROKINASE INHIBITORS Pfizer Limited (GB) 2000-08-02 EP disclosed
WO-1999020608-A1 ISOQUINOLINES AS UROKINASE INHIBITORS PFIZER LIMITED (GB) 1999-04-29 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 (4 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-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 HTT 3957/4885MAPK1 883/4885TSHR 176/4885
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A HTT 152/4885MAPK1 4551/4885TSHR 4760/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A HTT 152/4885MAPK1 4551/4885TSHR 4760/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 HTT 3957/4885MAPK1 883/4885TSHR 176/4885

“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.