SCHEMBL1151829

SCHEMBL1151829

c1ccc(-c2nccc(C3CC3)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.55
PIK3CA P42336 1/20 0.55
PIM1 P11309 3/20 0.48
PIM2 Q9P1W9 3/20 0.48
PIM3 Q86V86 2/20 0.48
USP30 Q70CQ3 1/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41

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
SCHEMBL4965296 0.93 PIK3CD (0.52) PIK3CDPIK3CAPIM1PIM2PIM3
SCHEMBL8036551 0.91 PIK3CD (0.51) PIK3CDPIK3CAPIM1PIM2PIM3
SCHEMBL13294661 0.89 HPGDS (0.51) PIK3CDPIK3CAPIM1PIM2PIM3
SCHEMBL29641671 0.84 PIK3CD (0.49) PIK3CDPIK3CAPIM1PIM2PIM3
SCHEMBL4879777 0.80 PIK3CD (0.42) PIK3CDPIK3CAUSP30
SCHEMBL29620532 0.76 AURKA (0.63) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL190954 0.76 AURKA (0.63) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL20691472 0.76 MEN1 (0.56) MAPTKMT2AKDM4EMEN1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL20267253 0.74 AURKA (0.61) MAPTKMT2AKDM4EMEN1NPC1
Hydrochloric Acid SCHEMBL8889589 0.74 KMT2A (0.40) PIK3CDPIK3CAPIM1PIM2PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9913831-B2 Methods and compositions for treating nephrogenic diabetes insipidus UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2018-03-13 US disclosed
EP-2750676-B1 METHODS AND COMPOSITIONS FOR TREATING NEPHROGENIC DIABETES INSIPIDUS UNIV UTAH RES FOUND (US) 2018-01-10 EP disclosed
US-9539246-B2 Methods and compositions for treating nephrogenic diabetes insipidus UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2017-01-10 US disclosed
US-20160296504-A1 METHODS AND COMPOSITIONS FOR TREATING NEPHROGENIC DIABETES INSIPIDUS UNIVERSITY OF UTAH 2016-10-13 US disclosed
US-20140377380-A1 METHODS AND COMPOSITIONS FOR TREATING NEPHROGENIC DIABETES INSIPIDUS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-12-25 US disclosed
CN-101998953-B 2-phenyl-4-cyclopropyl-pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2014-12-17 CN disclosed
CN-101998953-B 2-phenyl-4-cyclopropyl-pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2014-12-17 CN disclosed
CN-101998953-B 2-phenyl-4-cyclopropyl-pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2014-12-17 CN disclosed
EP-2750676-A1 METHODS AND COMPOSITIONS FOR TREATING NEPHROGENIC DIABETES INSIPIDUS University Of Utah Research Foundation (US) 2014-07-09 EP disclosed
JP-5374578-B2 2013-12-25 JP disclosed
EP-2283011-B1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-11-23 EP disclosed
CN-101998953-A 2-phenyl-4-cyclopropyl-pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2011-03-30 CN disclosed
CN-101998953-A 2-phenyl-4-cyclopropyl-pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2011-03-30 CN disclosed
CN-101998953-A 2-phenyl-4-cyclopropyl-pyrimidine derivatives ACTELION PHARMACEUTICALS LTD 2011-03-30 CN disclosed
EP-2283011-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP disclosed
EP-2283011-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP disclosed
US-20110028484-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-03 US disclosed
US-20110028484-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-03 US disclosed
WO-2009125365-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 WO disclosed
WO-2009125365-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 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 (3 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-20160296504-A1 METHODS AND COMPOSITIONS FOR TREATING NEPHROGENIC DIABETES INSIPIDUS GPR119, SLC5A2, P2RY2 PIK3CD 484/4885PIK3CA 299/4885PIM1 4053/4885
US-20110028484-A1 2-PHENYL-4-CYCLOPROPYL-PYRIMIDINE DERIVATIVES P2RY12, P2RY13, P2RY4 PIK3CD 656/4885PIK3CA 207/4885PIM1 2761/4885
US-20140377380-A1 METHODS AND COMPOSITIONS FOR TREATING NEPHROGENIC DIABETES INSIPIDUS GPR119, SLC5A2, P2RY2 PIK3CD 484/4885PIK3CA 299/4885PIM1 4053/4885

“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.