SCHEMBL669675

SCHEMBL669675

CC(C)(C)Nc1ncc(Br)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HDAC3 O15379 6/20 0.34
HDAC1 Q13547 6/20 0.34
HDAC2 Q92769 6/20 0.34
HDAC6 Q9UBN7 6/20 0.34
HTT P42858 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDE4A P27815 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL21681867 0.78 CDK4 (0.40) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL10597853 0.76 SMN1; SMN2 (0.38) SMN1; SMN2MAPTLMNAMEN1KMT2A
SCHEMBL336560 0.72
SCHEMBL9083546 0.72 SMN1; SMN2 (0.42) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL12288410 0.72 HDAC6 (0.65) HDAC3HDAC1HDAC2HDAC6
SCHEMBL15730527 0.71 HDAC6 (0.65) HDAC3HDAC1HDAC2HDAC6
SCHEMBL12883333 0.71 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL17036646 0.71 KDM4E (0.57) SMN1; SMN2MAPTLMNACDK4CCND1
SCHEMBL5966347 0.70 SMN1; SMN2 (0.41) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL21540587 0.70 VNN1 (0.49) KDM4EHDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230119547-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH INC (US) 2023-04-20 US disclosed
US-11497738-B2 Di-substituted pyrazole compounds for the treatment of diseases FGH BIOTECH, INC. (US) 2022-11-15 US disclosed
EP-3448851-B1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH INC (US) 2022-03-23 EP disclosed
CN-109476635-B Disubstituted pyrazoles for treatment of diseases FGH生物科技公司 2021-07-13 CN disclosed
US-20190134017-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-05-09 US disclosed
WO-2017190086-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES FGH BIOTECH, INC. (US) 2017-11-02 WO disclosed
EP-2809321-B1 PHENYL-C-OXADIAZOLE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE PRODUCTION FOR USE IN COMBINATION THERAPY BOEHRINGER INGELHEIM INT (DE) 2016-11-09 EP disclosed
US-9248187-B2 Oxadiazole inhibitors of leukotriene production for combination therapy BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-02 US disclosed
EP-2606045-B1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
US-8658661-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-25 US disclosed
US-20130195879-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
EP-2606045-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION Boehringer Ingelheim International GmbH (DE) 2013-06-26 EP disclosed
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US disclosed
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-30 US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP disclosed
WO-2012024150-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 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 (6 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-20190134017-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 SMN1; SMN2 4574/4885MAPT 3234/4885LMNA 1555/4885
US-20230119547-A1 DI-SUBSTITUTED PYRAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASES SREBF1, SREBF2, CYP27A1 SMN1; SMN2 4574/4885MAPT 3234/4885LMNA 1555/4885
US-20120220561-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 SMN1; SMN2 4270/4885MAPT 4668/4885LMNA 1745/4885
US-11497738-B2 Di-substituted pyrazole compounds for the treatment of diseases SREBF1, SREBF2, CYP27A1 SMN1; SMN2 4574/4885MAPT 3234/4885LMNA 1555/4885
US-20130195879-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION FOR COMBINATION THERAPY LTB4R, LTB4R2, LTC4S SMN1; SMN2 4337/4885MAPT 4716/4885LMNA 2335/4885
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R SMN1; SMN2 3750/4885MAPT 3602/4885LMNA 2545/4885

“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.