SCHEMBL1669689

SCHEMBL1669689

Cc1c([N+](=O)[O-])cnc2c1ccn2S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
MET P08581 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTR6 P50406 6/20 0.40
RAB9A P51151 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL30213799 0.91 L3MBTL1 (0.48) CYP2C19KMT2AMEN1METL3MBTL1
SCHEMBL28554876 0.91 L3MBTL1 (0.48) CYP2C19KMT2AMEN1METL3MBTL1
SCHEMBL29428770 0.85 CYP2C19 (0.44) CYP2C19KMT2AMEN1METHTR6
SCHEMBL29428833 0.85 CYP2C19 (0.44) CYP2C19KMT2AMEN1METHTR6
SCHEMBL2273205 0.85 CYP2C19 (0.44) CYP2C19KMT2AMEN1METHTR6
SCHEMBL25190824 0.85 CYP2C19 (0.44) CYP2C19KMT2AMEN1METHTR6
SCHEMBL17628727 0.85 CYP2C19 (0.44) CYP2C19KMT2AMEN1METHTR6
SCHEMBL28735217 0.85 HTR6 (0.46) CYP2C19KMT2AMEN1METHTR6
SCHEMBL12612708 0.84 CYP2C19 (0.41) CYP2C19KMT2AMEN1METL3MBTL1
SCHEMBL24166017 0.83 CYP2C19 (0.42) CYP2C19KMT2AMEN1METHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780840-B2 Tricyclic urea compounds as JAK2 V617F inhibitors INCYTE CORPORATION (US) 2023-10-10 US disclosed
EP-3584237-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2020-12-09 EP disclosed
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2020-02-06 US disclosed
US-10426135-B2 Methyl- and trifluromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use thereof PFIZER INC. (US) 2019-10-01 US disclosed
EP-2486009-B1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2019-08-21 EP disclosed
US-20190150401-A1 Methyl- and Trifluromethyl-Substituted Pyrrolopyridine Modulators of RORC2 and Methods of Use Thereof PFIZER INC. (US) 2019-05-23 US disclosed
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2019-05-16 US disclosed
US-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof PFIZER INC. (US) 2019-03-12 US disclosed
EP-3428160-A1 HETEROBICYCLOARYL RORC2 INHIBITORS AND METHODS OF USE THEREOF Pfizer Inc (US) 2019-01-16 EP disclosed
US-20180282304-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF PFIZER INC. (US) 2018-10-04 US disclosed
US-8513419-B2 N-(imidazolidin-2-ylidene)-heterocyclopenta[b]pyridine derivatives as modulators of alpha 2 adrenergic receptors ALLERGAN, INC. (US) 2013-08-20 US disclosed
US-8513419-B2 N-(imidazolidin-2-ylidene)-heterocyclopenta[b]pyridine derivatives as modulators of alpha 2 adrenergic receptors ALLERGAN, INC. (US) 2013-08-20 US disclosed
US-20130030014-A1 N-(IMIDAZOLIDIN-2-YLIDENE)-HETEROCYCLOPENTA[b]PYRIDINE DERIVATIVES AS MODULATORS OF ALPHA 2 ADRENERGIC RECEPTORS ALLERGAN, INC 2013-01-31 US disclosed
US-20130030014-A1 N-(IMIDAZOLIDIN-2-YLIDENE)-HETEROCYCLOPENTA[b]PYRIDINE DERIVATIVES AS MODULATORS OF ALPHA 2 ADRENERGIC RECEPTORS ALLERGAN, INC 2013-01-31 US disclosed
WO-2013015984-A1 N-(IMIDAZOLIDIN-2-YLIDENE)-HETEROCYCLOPENTA[b]PYRIDINE DERIVATIVES AS MODULATORS OF ALPHA 2 ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2013-01-31 WO disclosed
WO-2013015984-A1 N-(IMIDAZOLIDIN-2-YLIDENE)-HETEROCYCLOPENTA[b]PYRIDINE DERIVATIVES AS MODULATORS OF ALPHA 2 ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2013-01-31 WO disclosed
US-20130030014-A1 N-(IMIDAZOLIDIN-2-YLIDENE)-HETEROCYCLOPENTA[b]PYRIDINE DERIVATIVES AS MODULATORS OF ALPHA 2 ADRENERGIC RECEPTORS ALLERGAN, INC 2013-01-31 US disclosed
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC (US) 2012-08-16 US disclosed
EP-2486009-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-15 EP disclosed
WO-2011044229-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-14 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 (7 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-20180282304-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA CYP2C19 471/4885KMT2A 1687/4885MEN1 3968/4885
US-20200039960-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA CYP2C19 471/4885KMT2A 1687/4885MEN1 3968/4885
US-20130030014-A1 N-(IMIDAZOLIDIN-2-YLIDENE)-HETEROCYCLOPENTA[b]PYRIDINE DERIVATIVES AS MODULATORS OF ALPHA 2 ADRENERGIC RECEPTORS ADRB2, ADRA2C, ADRA2A CYP2C19 277/4885KMT2A 3304/4885MEN1 4100/4885
US-10227346-B2 Methyl- and trifluoromethyl-substituted pyrrolopyridine modulators of RORC2 and methods of use therof RORC, RORB, RORA CYP2C19 663/4885KMT2A 1396/4885MEN1 4017/4885
US-11780840-B2 Tricyclic urea compounds as JAK2 V617F inhibitors JAK2, JAK1, JAK3 CYP2C19 1141/4885KMT2A 727/4885MEN1 3542/4885
US-20190144429-A1 RORC2 INHIBITORS AND METHODS OF USE THEREOF RORC, RORB, RORA CYP2C19 471/4885KMT2A 1687/4885MEN1 3968/4885
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ADRB1, ADRB2, ADRA2C CYP2C19 711/4885KMT2A 3759/4885MEN1 2178/4885

“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.