Sugi Predict

Sugi Predict / Compounds / SCHEMBL786397

SCHEMBL786397

SCHEMBL786397

Cc1cc(Nc2nc(-c3cccnc3)nc3ccccc23)[nH]n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.64
▸ MAPT P10636 3/20 0.64
▸ HTT P42858 1/20 0.64
▸ CYP1A2 P05177 6/20 0.63
▸ CYP3A4 P08684 6/20 0.63
▸ TSHR P16473 5/20 0.63
▸ CLK4 Q9HAZ1 4/20 0.63
▸ ALDH1A1 P00352 4/20 0.63
▸ USP2 O75604 3/20 0.63
▸ LMNA P02545 3/20 0.63
▸ CYP2C19 P33261 5/20 0.61
▸ HSD17B10 Q99714 5/20 0.61
▸ CYP2D6 P10635 4/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ KDM4E B2RXH2 2/20 0.60
▸ TDP1 Q9NUW8 2/20 0.60
▸ HPGD P15428 1/20 0.60
▸ ABCG2 Q9UNQ0 5/20 0.58
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57

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
SCHEMBL786402 0.90 GSK3B (0.65) MAPTLMNAABCG2MEN1KMT2A
SCHEMBL786548 0.88 LATS1 (0.58) MAPK1MAPTHTTPDE5A
SCHEMBL786265 0.87 GSK3B (0.68) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL786318 0.87 GSK3B (0.62) MAPTLMNAABCG2MEN1KMT2A
SCHEMBL786396 0.84 KMT2A (0.61) MAPK1MAPTCYP1A2CYP3A4TSHR
SCHEMBL786173 0.83 PDE5A (0.60) MAPTLMNAABCG2MEN1KMT2A
SCHEMBL786642 0.83 AURKA (0.54) MAPTLMNAABCG2MEN1KMT2A
SCHEMBL785341 0.83 GSK3B (0.54) MAPTLMNAKDM4EABCG2MEN1
SCHEMBL785492 0.83 GSK3B (0.54) MAPK1MAPTCYP1A2CYP3A4CLK4
SCHEMBL802159 0.82 AURKA (0.80) MAPK1MAPTHTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8633210-B2 Triazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8524720-B2 Substituted N-(pyrazol-5-yl)-pyrrolo[3,2-D]pyrimidin-4-amine useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 — — US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 — — US disclosed
US-8343980-B2 Quinazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 — — US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 — — US disclosed
US-8153642-B2 Quinazolines useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 — — US disclosed
CN-1469874-A Pyrazole compounds useful as protein kinase inhibitors ��̩��˹ҩ��ɷ����޹�˾ 2004-01-21 — — CN disclosed
US-6660731-B2 Alzheimer's disease; anticancer agents; antidiabetic agents VERTEX PHARMACEUTICALS INCORPORATED 2003-12-09 — — US disclosed
US-6638926-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-10-28 — — US disclosed
US-6613776-B2 Protein serine/threonine kinase inhibitors used for treating diseases such as cancer, diabetes and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 — — US disclosed
US-6610677-B2 Enhancing glycogen synthesis, lowering blood levels of glucose, treating colon, ovarian, or breast cancer, treating diabetes, treating schizophrenia VERTEX PHARMACEUTICALS INCORPORATED 2003-08-26 — — US disclosed
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-05-01 — — US disclosed
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-17 — — US disclosed
US-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-04-03 — — US disclosed
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-03-20 — — 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 (5 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-20030064981-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3A MAPK1 538/4885MAPT 190/4885HTT 3096/4885
US-20030064982-A1 Pyrazole compounds useful as protein kinase inhibitors MAP3K20, CDK2, MAP2K2 MAPK1 75/4885MAPT 799/4885HTT 3655/4885
US-20030083327-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MAPK1 557/4885MAPT 221/4885HTT 3953/4885
US-20030055044-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MAPK1 389/4885MAPT 173/4885HTT 3579/4885
US-20030073687-A1 Pyrazole compounds useful as protein kinase inhibitors AURKC, AURKA, GSK3B MAPK1 639/4885MAPT 293/4885HTT 4106/4885

“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.