SCHEMBL6181437

SCHEMBL6181437

CC(Br)c1ccc2cn[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.55
METAP2 P50579 3/20 0.55
DYRK1A Q13627 2/20 0.55
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
F2 P00734 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
FGFR1 P11362 7/20 0.46
FGFR2 P21802 2/20 0.45
FGFR3 P22607 1/20 0.45
CYP3A4 P08684 2/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL27995719 0.86 NOS1 (0.55) NOS1METAP2DYRK1AMAPTALDH1A1
SCHEMBL84390 0.85 MAPT (0.60) NOS1METAP2DYRK1AMAPTALDH1A1
SCHEMBL8064332 0.85 NOS1 (0.58) NOS1METAP2DYRK1AMAPTALDH1A1
SCHEMBL18559548 0.82 MAPT (0.55) NOS1METAP2DYRK1AMAPTALDH1A1
SCHEMBL21510145 0.82 MAPT (0.50) NOS1METAP2DYRK1AMAPTALDH1A1
SCHEMBL3722916 0.82 MAPT (0.54) NOS1METAP2DYRK1AMAPTALDH1A1
SCHEMBL18737272 0.82 MAPT (0.50) NOS1METAP2DYRK1AMAPTALDH1A1
SCHEMBL14072852 0.79 ALDH1A1 (0.48) NOS1METAP2DYRK1AMAPTALDH1A1
SCHEMBL6202977 0.78 NOS1 (0.50) NOS1METAP2DYRK1AMAPTALDH1A1
SCHEMBL14534860 0.77 MAPT (0.49) NOS1METAP2DYRK1AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912521-B1 SUBSTITUTED INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER (US) 2005-04-06 EP disclosed
US-6716978-B2 FOR THERAPY AND PROHYLAXIS OF INFLAMMATORY DISEASES INCLUDING JOINT INFLAMMATION, CROHN'S DISEASE, AND INFLAMMATORY BOWEL DISEASE; RESPIRATORY DISEASES SUCH AS CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) INCLUDING ASTHMA, CHRONIC BRONCHITIS PFIZER INC 2004-04-06 US disclosed
US-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors MARFAT ANTHONY (US) 2003-08-21 US disclosed
US-6391872-B1 SENSITIVE TO ADRENERGIC ANTAGONIST PFIZER INC 2002-05-21 US disclosed
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS MARFAT ANTHONY (US) 2002-05-16 US disclosed
US-6211222-B1 Substituted indazole derivatives and related compounds PFIZER INC 2001-04-03 US disclosed
CN-1284948-A Indazole bioisostere replacement of catechol in therapeutically active compounds PFIZER PROD INC (US) 2001-02-21 CN disclosed
CN-1281441-A Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors PFIZER PROD INC (US) 2001-01-24 CN disclosed
US-6127398-A Substituted indazole derivatives and related compounds PFIZER INC (US) 2000-10-03 US 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-20030158189-A1 Therapeutically active compounds based on indazole bioisostere replacement of catechol in PDE4 inhibitors PDE4B, PDE3B, PDE4A NOS1 46/4885METAP2 3154/4885DYRK1A 3459/4885
US-20020058687-A1 THERAPEUTICALLY ACTIVE COMPOUNDS BASED ON INDAZOLE BIOISOSTERE REPLACEMENT OF CATECHOL IN PDE4 INHIBITORS PDE3B, ALPI, PDE4B NOS1 346/4885METAP2 3641/4885DYRK1A 2538/4885

“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.