SCHEMBL4987522

SCHEMBL4987522

O=C(O)c1ccc2c(Cl)nnc(O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.44
SRD5A2 P31213 3/20 0.43
NAPRT Q6XQN6 1/20 0.42
TP53 P04637 1/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA9 Q16790 3/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CA3 P07451 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
SCHEMBL4995278 0.93 TSHR (0.44) TSHRALOX15SRD5A2NAPRTTP53
SCHEMBL4991890 0.89 TSHR (0.50) TSHRALOX15SRD5A2NAPRTTP53
Hydrochloric Acid SCHEMBL10456360 0.87 TSHR (0.48) TSHRALOX15SRD5A2NAPRTTP53
SCHEMBL2457419 0.87 TSHR (0.50) TSHRALOX15SRD5A2NAPRTTP53
SCHEMBL2461216 0.79 JAK2 (0.49) KDM4EMAPTPOLBALDH1A1PTPN1
SCHEMBL4993170 0.79 TPMT (0.44) TSHRALOX15SRD5A2TP53CA12
SCHEMBL4998018 0.78 CA1 (0.44) TSHRNAPRTCA12CA1CA9
SCHEMBL4993691 0.78 TSHR (0.40) TSHRALOX15NAPRTKDM4EPOLB
SCHEMBL4991719 0.78 HCAR3 (0.41) TSHRNAPRTKDM4EMAPTPOLB
SCHEMBL4990631 0.76 TPMT (0.44) TSHRALOX15SRD5A2NAPRTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
US-8349836-B2 Phthalazine derivatives as inhibitors of protein kinase ARALDI GIAN-LUCA (US) 2013-01-08 US disclosed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 US disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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 (1 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-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 TSHR 4334/4885ALOX15 3492/4885SRD5A2 4247/4885

“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.