SCHEMBL4861230

SCHEMBL4861230

N#Cc1[c]c2ccccc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.34
IMPDH1 P20839 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL6538412 0.79 KDM4E (0.34) ALDH1A1HSD17B10GPR3PSMB8KDM4E
SCHEMBL1388471 0.71 ALDH1A1 (0.35) ALDH1A1HSD17B10GPR3PSMB8KDM4E
SCHEMBL11785225 0.70 ALDH1A1 (0.38) ALDH1A1HSD17B10GPR3PSMB8KDM4E
SCHEMBL2230518 0.67 ALDH1A1 (0.35) ALDH1A1HSD17B10GPR3PSMB8KDM4E
SCHEMBL4466423 0.67 ALDH1A1 (0.35) ALDH1A1HSD17B10GPR3PSMB8KDM4E
SCHEMBL29547 0.67 AHR (0.37) ALDH1A1HSD17B10GPR3PSMB8KDM4E
SCHEMBL8588800 0.67 ALDH1A1 (0.40) ALDH1A1HSD17B10GPR3PSMB8KDM4E
SCHEMBL28824470 0.65 AHR (0.35) ALDH1A1HSD17B10GPR3PSMB8KDM4E
SCHEMBL1972818 0.64 NPC1 (0.41) ALDH1A1HSD17B10TSHRGPR3KDM4E
SCHEMBL10813818 0.64 ALDH1A1 (0.32) ALDH1A1HSD17B10GPR3PSMB8KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875018-B1 FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES INC (US) 2018-02-14 EP claimed
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX CLEAVE THERAPEUTICS, INC. 2015-08-27 US claimed
EP-2875018-A1 FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX Cleave Biosciences, Inc. (US) 2015-05-27 EP claimed
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 CLEAVE BIOSCIENCES, INC. (US) 2014-01-23 US claimed
WO-2014015291-A1 FUSED PYRIMIDINES AS INHIBITORS OF p97 COMPLEX ZHOU HAN-JIE (US) 2014-01-23 WO claimed
US-20040186080-A1 Beta 2-adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2004-09-23 US claimed
US-6683115-B2 A MULTIBINDING COMPOUND CONTAINING A LINKER AND A LIGAND, USEFUL FOR TREATING RESPIRATORY DISEASES SUCH AS ASTHMA AND CHRONIC BRONCHITIS, AND ARE ALSO USEFUL IN THE TREATMENT OF NERVOUS SYSTEM INJURY AND PREMATURE LABOR THERAVANCE, INC. 2004-01-27 US claimed
US-6593497-B1 N,N*-Bis(B-hydroxyphenyethyl)-alkylenediamine derivatives; respiratory system disorders, antiasthmatics, nervous system injury an premature labor treatment THERAVANCE, INC. 2003-07-15 US claimed
US-20030087307-A1 Beta2-adrenergic receptor agonists ADVANCED MEDICINE, INC. 2003-05-08 US claimed
US-6541669-B1 Multibinding amine compounds which are beta 2 adrenergic receptor agonists useful in treatment and prevention of respiratory diseases such as asthma, bronchitis THERAVANCE, INC. 2003-04-01 US claimed
EP-1019360-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-07-19 EP claimed
WO-1999064035-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-07-06 WO claimed
WO-1999064034-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-06-29 WO claimed
EP-1003540-A1 $g(b)2-ADRENERGIC RECEPTOR AGONISTS Advanced Medicine, Inc. (US) 2000-05-31 EP claimed
WO-1999064031-A9 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE INC (US) 2000-05-04 WO claimed
WO-1999064034-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
WO-1999064035-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
WO-1999064031-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO claimed
US-4870087-A Indole containing, 2-thienyl-1,2,3,6-tetrahydropyridyls and their pharmaceutical use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-09-26 US claimed
US-4617309-A Sulfur-containing indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-10-14 US claimed

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-20040186080-A1 Beta 2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B IMPDH2 3360/4885IMPDH1 3868/4885GABRP 114/4885
US-20140024661-A1 FUSED PYRIMIDINES AND SUBSTITUTED QUINAZOLINES AS INHIBITORS OF P97 PSMG3, PSMD1, PSMD3 IMPDH2 3312/4885IMPDH1 2946/4885GABRP 2857/4885
US-20030087307-A1 Beta2-adrenergic receptor agonists ADRB2, ADRB1, ADRA2B IMPDH2 3107/4885IMPDH1 3840/4885GABRP 101/4885
US-20150239907-A1 FUSED PYRIMIDINES AS INHIBITORS OF P97 COMPLEX PSMG3, PSME1, PSMB1 IMPDH2 2911/4885IMPDH1 2448/4885GABRP 2151/4885

“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.