SCHEMBL3648908

SCHEMBL3648908

Cc1ccc(NN)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAP2K2 P36507 1/20 0.42
MAP2K1 Q02750 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
NFE2L2 Q16236 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ACHE P22303 2/20 0.35
CSF1R P07333 1/20 0.35

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
Hydrochloric Acid SCHEMBL1395040 0.98 CA1 (0.48) CA1CA2CA9MAP2K2MAP2K1
SCHEMBL3650326 0.82 ALDH1A1 (0.42) CA1CA2CA9RAPGEF4MEN1
Hydrochloric Acid SCHEMBL4587796 0.80 ALDH1A1 (0.41) CA1CA2CA9RAPGEF4MEN1
SCHEMBL14218921 0.79 TDP1 (0.54) CA1RAPGEF4GAATDP1TP53
SCHEMBL11405183 0.79 MAP2K2 (0.43) MAP2K2MAP2K1RAPGEF4MEN1KMT2A
SCHEMBL3367619 0.79 MAP2K2 (0.40) MAP2K2MAP2K1RAPGEF4MEN1KMT2A
SCHEMBL29471763 0.76 CA1 (0.53) CA1CA2CA9MEN1KMT2A
SCHEMBL1010790 0.76 RAPGEF4 (0.56) RAPGEF4MEN1KMT2AGAATDP1
SCHEMBL29401670 0.76 RAPGEF4 (0.56) RAPGEF4MEN1KMT2AGAATDP1
SCHEMBL182042 0.76 CA1 (0.53) CA1CA2CA9MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2024-06-04 US disclosed
EP-3820867-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS FONDAZIONE ST ITALIANO TECNOLOGIA (IT) 2023-09-13 EP disclosed
WO-2023069884-A1 KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE IMAGO BIOSCIENCES, INC. (US) 2023-04-27 WO disclosed
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS ISTITUTO GIANNINA GASLINI (IT) 2021-09-23 US disclosed
WO-2020036133-A1 3-(1H-1,2,4-TRIAZOLE-1-YL) BENZOIC ACID AMIDE DERIVATIVE AND HARMFUL ORGANISM CONTROL AGENT クミアイ化学工業株式会社 2020-02-20 WO disclosed
US-9169260-B2 Amidopyrazole inhibitors of interleukin receptor-associated kinases MERCK SHARP & DOHME CORP. (US) 2015-10-27 US disclosed
US-9169260-B2 Amidopyrazole inhibitors of interleukin receptor-associated kinases MERCK SHARP & DOHME CORP. (US) 2015-10-27 US disclosed
US-9169260-B2 Amidopyrazole inhibitors of interleukin receptor-associated kinases MERCK SHARP & DOHME CORP. (US) 2015-10-27 US disclosed
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
WO-2012129258-A1 AMIDOPYRAZOLE INHIBITORS OF INTERLEUKIN RECEPTOR-ASSOCIATED KINASES MERCK SHARP & DOHME CORP. (US) 2012-09-27 WO disclosed
US-20110166165-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS SCHERING CORPORATION (US) 2011-07-07 US disclosed
EP-2190822-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-06-02 EP disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
WO-2009041705-A9 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2009-08-13 WO disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 WO disclosed
WO-2009041705-A2 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 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-20110166165-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR88, GCGR CA1 4851/4885CA2 3976/4885CA9 3388/4885
US-11999734-B2 Compounds and compositions for the treatment of cystic fibrosis CFTR, ABCB11, ABCC5 CA1 4094/4885CA2 698/4885CA9 1348/4885
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 CA1 975/4885CA2 335/4885CA9 662/4885
US-20210292324-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, ABCB11, ABCC5 CA1 4094/4885CA2 698/4885CA9 1348/4885

“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.